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By P. O. Parfitt

At the McIntyre mine, there are two distinct operations: a gold mine with narrow veins, mined by cut-and-fill methods, and a copper mine with large, open, long-hole stopes. The application of the Critical Path Method to scheduling work in the copper mine, where it has been used successfully for several years, is de-scribed briefly. This application is relatively simple. Use of C.P.M. has now been extended to the gold mine. To replace the former method of scheduling from bar-charts, a procedure was developed for scheduling automatically. To handle an operation of this size and complexity, a computer was essential. Improved schedules are now being produced, with a saving in time.

Jan 1, 1967

By O. Schnake, M. Isakson, C. A. Landolt

The paper presents the conceptual basis for the development of an Activity Based Costing system (ABC) for the analysis and estimation of process costs in mining and metallurgy. In particular, it discusses three major thrusts towards attaining increased efficiency in extraction and processing systems: (a) understanding the link between process and expenses, (b) identifying the chemical and physical factors that govern process costs and ( c) using process and cost models of the production systems. The authors have developed computer techniques to analyze data from conventional accounting and apply them to the development of process based ABC systems. The cost causing activities are linked to management units patterned after the organizational structure of the production system. All costs are associated with specific process functions such as charge preparation, smelting, refining, etc. The level of detail is determined by the quality of data available in conventional accounting systems. The system permits data analysis of historical cases and the projection of costs for new production schemes. Results can be presented in various levels of aggregation, following organizational and/or functional structures. The outputs of the system are tabular and graphical, typically following Pareto analysis concepts.

Jan 1, 2007

By K. Svens, M. Lahtinen, L. Lehtinen

"Outotec's direct leaching process is an atmospheric leaching process for sulphidiczinc concentrates. The direct leaching process, based on special leaching reactors developed by Outokumpu and leaching know-how, is the most economical way to produce electrolytic zinc. The newest industrial-scale application of Outotec's direct leaching process will be started up in 2008 in China at Zhuzhou smelter. The process isintegrated to the existing production plant, replacing part of the old production facilities by modern technology and increasing the production capacity significantly. The process equipment supplied by Outotec includes also tailor-made reactors designed on the basisof the work and experience of Outotec Research Centre."

Jan 1, 2008

By G. W. Harris, P. Mousset-Jones, J. Daemen

"To minimize ore dilution induced by blast movement in surface mines, it is necessary to quantify such movement. This will enable more accurate location of the grade boundaries beneath the surface of a blasted rock pile before excavation. A method has been developed and tested to accurately measure the direction and magnitude of subsurface blast movement. This technique uses a cesium vapour gradiometer and a real-time, differentially corrected GPS system to locate pre- and post-blast position of magnetically enhanced target objects placed within blastholes inside a bench. The procedure developed does not require the blasted rock to be disturbed, and the movement information is available within a sufficient time to allow for modification of the selective mining boundaries for each surveyed blast. It was found that the maximum depth of target detection was 18 m, with the overall accuracy being measured as ±1 m (horizontally) and ± 1.2 m (vertically). IntroductionOre dilution is a critical concern for many mining operations. In some instances, it may be the cause of considerable mineral loss. Where the mineralization is finely grained, sedimentary and disseminated in nature, and exhibits no clearly defined visual ore/waste boundary, there is a heightened possibility for ore grade dilution. In most modern open pit gold mines, it is economically desirable to minimize dilution in the production process through the practice of selective mining by defining pre-blast ore digging boundaries, called digging polygons, on the preblast bench area. The polygons’ positions are defined by sampling the production drill holes, with the resultant assay and survey data being used to estimate the areas of specified grade content within the bench. Once the ore is blasted in the bench, the pre-blast locations of these digging polygons are flagged as designated areas on the broken ore pile. The purpose is for the loader operator to be able to recognize which areas of blasted rock are to be sent to the appropriate processing facility or to the waste dump."

Jan 1, 2001

By F. P. Hassani, A. Hara, M. Momayez

To be competitive on the international market, the Canadian mining industry must reduce its costs, increase its productivity and maintain a high standard of safety. There is a great need today for improved methods that would allow the detection of geological structures in advance of mining to reduce dilution and the monitoring of underground structures to increase safety. This will facilitate planning for optimum exploitation of the mine and to increase production at lower costs. This paper discusses two examples of more efficient mine planning using new technologies such as Ground Probing Radar (GPR). In Kidd Creek mine, GPR technology was used at the 2500and 2600 levels to (1) monitor the stability of the sill pillar; (2) locate the presence of disseminated sulphide pockets in the sill pillar for extracting the mineral content; (3) monitor the stope backs and wall structures to evaluate the effect of on-time filling sequences; and (4)assess rockfill quality in terms of the presence of voids and fractures within the rockfilled areas. In the New Brunswick coal mine in Minto, GPR was used along with core log data to map and construct a 3D block of a section of the bench showing the relative position of different layers overlying the coal seam.

Jan 1, 1996

By A. McLean, Q. R. Yang, Y. D. Yang, G. F. Zhang, P. Wu

A considerable amount of waste slag from the pyrite roasting process is discharged every year. Recovery of iron from the waste slag is of great interest for comprehensive use of mineral resource, reduction of environment impact and improvement of economical benefit to related companies. The objectives of the present work are focused on: (1) Compare various procedures for recovery of iron from the waste slag and select a best procedure for industrial trial which is roasting of the waste slag under reducing condition followed by magnetic separation; (2) Investigate the optimum conditions for maximum recovery of iron from the waste slag. The experimental result shows that under the treatment condition found in this work about 36 to 40% of the iron oxide was recovered from the waste slag, where the iron content in the concentrate is 57%. The total recovery ratio of iron, up to 70%, from the waste slag was achieved. After the treatment, sulphur content in the waste slag was reduced significantly and gangue materials, such as SiO2, Al2O3 and TiO2, were reduced effectively.

Jan 1, 2011

By H. Q. Fan

Construction equipment is an important type of resources of heavy construction contractors. Since equipment breakdowns can cause project delays and significant financial losses, the contractors are eager to know those factors causing equipment failures directly or indirectly, related to equipment design, maintenance, and operations. Although Bayesian network can be used for diagnostic analysis of failure events or making predictive analysis, building a Bayesian network for such purpose can be difficult as the cause-effect relations can be subjective and their conditional probabilities change with a wide variety of causal factors. A hybrid approach is proposed in this paper to update the Bayesian diagnostic network structures and parameters using real life data, the conditional probabilities and cause-effect relationships can be dynamically updated with observed failure records to reflect the real life situations of a complex equipment system. A case study is conducted to show the benefits of the hybrid approach in construction equipment diagnostic analysis.

Aug 1, 2013

By Jodi Wilding, Barry Lurnsden

The implementation of new technology to mineral separation operations requires rigorous testing to confirm the technology&apos;s technical and economic benefit. The Jaguar Mine owned by Jabiru Metals is located in Western Australia and sequentially separates a copper concentrate and then a zinc concentrate. Fine grinding (80% of zinc in tail is <25µm) is required to achieve efficient mineral separation. All mineral losses are therefore fine mineral losses, and so improvements in metal recovery must focus on this fine mineral. Magnetic aggregation technology has been shown to increase the recovery of fine paramagnetic minerals so it was an appropriate technology to evaluate at Jaguar. Testwork commenced in the copper circuit and it was found that there was a substantial reduction in copper in copper tail and an increase in zinc recovery to the zinc concentrate. The increase in zinc recovery in the latter zinc circuit was an interesting result and initiated the second stage of testwork that was to install and test a second magnetic conditioning unit in the zinc círcuit. This showed a further increase in zinc recovery. Magnetic conditioning technology has now been fully evaluated in the plant and is now part of the Jaguar flowsheet.

Jan 1, 2011

By G. M. Castillo

Newmont?s Phoenix mine started production in March of 2006. Due to the extreme hardness of the ore, the mill has struggled to meet throughput projections. Grinding studies showed that optimizing the existing circuit would not achieve budgeted throughput. These studies also showed that the pebble crusher was being underutilized due to the inability of the SAG mill to break the rock. The concept was developed to supplement the feed to the existing pebble crusher with a secondary crusher. Models of this process looked favorable so a portable crusher was installed to test the process. The temporary crusher was successful at increasing the throughput by 7% and based on the operating data, plans are currently being developed to install a permanent secondary crushing system in front of the SAG mill. This paper will review the results from the test crusher and the flow sheet for the permanent secondary crusher.

Jan 1, 2012

By R. C. McMurchy

"The Powell mine is in western Quebec about 2 miles northwest of the adjoining towns of Noranda and Rouyn. It is the original discovery of the area, its gold-bearing quartz vein having been discovered in 1922. Considerable work was done on this vein by several companies and discontinued because the grade, when gold was $20 an ounce, was too low for profitable extraction. Between 1922 and 1924 an inclined shaft was sunk to 225 feet and drifts were driven 240 feet on the 100-foot level.In 1929, due to the discovery and development of the Horne mine at Noranda, interest was revived in the property. Sulphide deposits of the disseminated and vein types were explored on the Powell claims. On the B copper 'showing', a vertical shaft, now known as the 'old copper shaft', was sunk to ·a depth of 167 feet and 300 feet of lateral work was carried out on the 150-foot level. As no orebody was discovered this work was discontinued.In 1933 the present company, Powell Rouyn Gold Mines, Limited, was formed and the gold-bearing quartz veins were again tested by drilling and trenching. In 1936, the price of gold having risen to $35 an ounce, operations were resumed. Since then the inclined shaft (No. 1) has been deepened to 500 feet, a second shaft (No. 2, vertical) on the main quartz vein has been sunk to 2,630 feet, and ll; shallow vertical shaft (No. 3) on the same vein but in the south claim has been sunk to 500 feet.Lateral work now approximates 9 miles, and to November 15th, 1946, 1,685,674 tons of ore, which averaged 0.129 oz. gold per ton and 73.6 per cent. Si02, had been extracted."

Jan 1, 1954

By F. Liu, H. A. Meier, D. M. Valiveti, P. A. Gordon

Hydraulic fracture is a frequently used technique in the Oil and Gas industry to create high permeability pathways for extraction of hydrocarbons. Numerical simulation of this method poses challenges such as representation of 3D fractures, propagation of randomly oriented fractures in 3D media, enabling fluid leak-off from fracture to poro-elastic medium. We have developed a numerical model using the Generalized Finite Element Method (GFEM) to simulate fluid driven fracture in a poro-elastic medium that addresses these challenges. In the GFEM framework, special enrichment functions are used to augment the solution space in the displacement and pore-pressure fields in order to accurately capture the response in the vicinity of the fracture. Adaptive refinement of the finite element mesh is also employed to facilitate accurate and efficient solution of the model. Our model fully couples fluid flow in the fracture, represented with the lubrication approximation, to the geo-mechanical behavior of the bulk poroelastic rock, comprised of an elastic rock skeleton saturated with fluid. Fracturing fluid exerts traction on the fracture surface and is also allowed to leak-off into the poroelastic medium using a transfer function approach. Stress intensity factors (SIFs) are evaluated based on the Contour Integral Method, accounting for the fluid pressure on the fracture surface. The SIFs are used to govern a full 3-D evolution of the fracture. Verification of the model is performed for known behaviors for the poroelastic response and fluid flow in the fracture.

Jan 1, 2015

A pilot scale AG milling campaign was conducted at the AngloAmerican Platinum pilot plant in South Africa. Different blends of hard:soft (silicate:chromite) and coarse:fine particles in the AG mill fresh feed were tested. The effects of multi-component feed on the pilot scale autogenous grinding are presented in this paper, and can be used as a guideline for multi-component feed blends for AG milling. Preliminary modelling and simulation for the multi-component AG mill model are also included.

Jan 1, 2012

By Michael J. Beare

Requirements of both local permitting and international fundraising are forcing increasing numbers of projects in Russia and CIS to carry out dual technical studies. The principal focus of Russian mining project design is to satisfy local regulatory requirements. However, the technical documents are not generally accepted by international banks for project finance outside Russia. Similarly, international study documents are not accepted for permitting in Russia. The purpose of this paper is to compare and contrast Russian and international approaches to mine technical studies and draw conclusions from this. The Russian design and permitting system is centered around two key statutory technical documents termed the TEO Konditsy and the TEO Project. These documents are subject to regulatory approval and are broadly equivalent to the international prefeasibility study and the feasibility study respectively. A comparison of study criteria suggests similar approaches are used for the main technical disciplines in project design by the time projects are at the point of construction, but there is divergence on environmental matters where the OVOS (Russian ESIA equivalent) differs from an ESIA in some significant areas. The key differences relate to project footprint, level of technical detailed required for baseline studies, level of public consultation, consideration and disclosure of information, labour, coverage of community and social issues and the preparation of a Social and Environmental Management System (SEMS). It has been noted that the Russian Design Institutes often leave the detailed economic analysis until after the TEO Konditsy. A common problem is design teams tend to look for ?technological solutions? without due concern for project economics. The end result of this can be mines that are overcapitalized and hence sub-optimal. It can be concluded that Design Institutes have the monopoly on Russian permitting reports and this is likely to continue. Similarly, Russian institutes generally do not prepare feasibility studies to international standards and this is likely to continue to be the case. Therefore to achieve the requirement of dual technical studies, the international consultants and Russian Design Institutes will need to cooperate on a joint work program. Key issues will be to ensure the most appropriate option studies are carried out at the right stages, that project economics are considered throughout the study, and that the environmental work program covers the additional studies necessary for the ESIA.

May 1, 2009

By K. Ihara, T. Yamaguchi, K. Matsumoto

"Al-Fe alloy sheets having layers with different strain components were produced by unlubricated hot rolling and the recrystallization texture formation during annealing was investigated in each layer. In this study, the strain component introduced by rolling was quantitatively evaluated by measuring degree of bending of an aluminum pin embedded in the sheet. The textures before and after annealing were investigated by the SEM-EBSD technique. It was clarified that, in the middle layer, where comparatively small shear strain was introduced, ß-fiber subgrains and cube {001}<100> oriented subgrains were formed before annealing, and cube oriented recrystallized grains grew after annealing. On the other hand, in the surface layer, where large additional shear strain was introduced, shear texture components and cube oriented subgrains were formed before annealing, and shear texture was retained even after annealing, while cube oriented subgrains did not grow and were encroached. It was suggested that introduced strain components influenced the recrystallization texture formation by inducing different distribution of the subgrain size, stored strain energy and orientation relationship with surroundings before annealing.INTRODUCTION The microstructure developed during the hot-rolling process of aluminum and aluminum alloys affect the mechanical properties of the final product sheets. Especially, the crystallographic orientation in the final product sheets affects the r- value and ears during deep drawing (Humphreys & Hatherly, 2004), then the texture control in the hot-rolling process is important. When the friction between the rolling roll and rolled sheet in the hot-rolling is large, both the rolling texture and recrystallization texture tend to be heterogeneous in the thickness direction. It is known in many rolled aluminum alloy sheets that the texture in the surface layer was different from that in the middle layer because of additional shear strain. It was reported that in the vicinity of the surface layer, where large additional shear strain was introduced, the shear texture <1 1 1>//ND and < 1 1 0> // RD which contain components of {1 1 1} <1 1 0> and {0 0 1} <1 1 0> developed during rolling, and the shear texture developed even after recrystallization annealing (Sakai et al., 2002). Particularly, it is thought that the <1 1 1> // ND texture contributes to improve the r-value and press formability (Inoue & Takasugi, 2007). Therefore, asymmetrical rolling and high friction rolling have been applied to improve formability of aluminum alloys by adding shear strain in the rolled sheets as deep as possible (Kamijo et al., 1972; Inoue et al., 2005). However, few researches have been focused on the microstructures and texture before annealing and thus, the detailed mechanism is still unclear how the texture after annealing is affected by the texture before annealing. In this study, the Al-Fe alloy of commercially pure aluminum was chosen as the first material to be studied in order to clarify the fundamental process of the recrystallization texture formation. The main purpose of this study is to clarify the effect of additional shear strain on the rolling and recrystallization textures in the hot-rolled sheets by analyzing the transition of microstructure and orientation distribution through recrystallization annealing."

Jan 1, 2018

By A. Jordens, Y. Zhiyong

"IMBSRE, one of the largest rare earth element (REE) producers in China, produces a rare earth oxide (REO) concentrate as a by-product by floating the middlings stream from a low intensity magnetic separation step in the main iron ore processing stage. As the mine depth has increased, flowsheet changes in the main iron ore circuit have reduced the REO grade and increased the magnetite to REO ratio in the middling product used as flotation feed for the REO circuit. Extensive laboratory work was carried out and identified a new modified hydroxamic acid product, Florrea 8920, that could provide better metallurgical results over the standard hydroxamic acid used as the main collector. This paper briefly reviews the use of hydroxamates in the flotation of oxide minerals, provides detailed information on the different hydroxamates available from Florrea and then provides a case study of the successful implementation of the Florrea 8920 product in a commercial Chinese REE flotation plant. The case study consists of a one year program of pilot plant testing and industrial trials to confirm the results of laboratory tests. The implementation of the new collector resulted in an improvement in grade and recovery to 61% and 64% respectively. The new collector also provided significant economic and environmental benefits.INTRODUCTIONThe flotation of rare earth element (REE) bearing minerals is a topic which has been dominated in the English language literature by the work conducted on the Mountain Pass bastnäsite deposit (Pradip, 1981; Fuerstenau, Pradip, Khan, & Raghavan, 1982; Pradip & Fuerstenau, 1983, 1985, 2013; Fuerstenau & Pradip, 1991; Fuerstenau, Pradip, & Herrera-Urbina, 1992; Herrera-Urbina, Pradip, & Fuerstenau, 2013). By far the most important collector type used for the flotation of rare earth minerals (REM) is hydroxamates. These reagents were initially extensively described as REM collectors in the English literature by Pradip (1981) however they have been successfully applied to numerous other minerals such as: cassiterite (Sreenivas & Padmanabhan, 2002); pyrochlore (Gibson, Kelebek, Aghamirian, & Yu, 2015); hematite, chrysocolla, rhodonite, hubnerite and pyrolusite (Fuerstenau, 2005); and malachite (Lenormand, Salman, & Yoon, 1979) amongst others."

Jan 1, 2016

By R. A. Hemstock

"Simple classification systems are now being used which will describe adequately the surface vegetation, the topography and the peat for any muskeg condition. Good progress is being made in determining some of the mechanical properties of muskeg and it is apparent that the science of soil mechanics will apply largely to these studies. Correlation is also indicated between shear strength as determined by the shear vane tester and vehicle performance. Several tracked vehicles are now available which perform well in muskeg and advances in this field have come rapidly in the past few years. Testing is under way on the largest of all muskeg vehicles -the thirty-five ton Musk Ox. This vehicle will fill the last gap for the oil industry and will make possible the movement of large drilling rigs at any season of the year."

Jan 1, 1960

By L. Garrigues, M. Jarvis, M. Halhead, O. A. Bascur

"Large variability of ore types, escalating variables operating costs and increased throughput require large investment in sensors and systems in mineral processing operations. Mining and mineral processing plants collect and manage more data than a small city with much in real-time. The data is changing rapidly as internal and external conditions evolve. As corporations buy and sell assets, and reengineer their staff, the structure and tools that were used to understand this data is lost. This results in significant deterioration in the ability to maintain a smart operation. When data is recognized as a critical asset and managed as part of an infrastructure, it become a key enabler to help transform the entire operations. In many situations, all partners in business collaboration—such as join ventures, contract manufacturer, expert service providers, and operations and maintenance companies—need access to production and asset data. The emergence and maturation of Cloud technologies make it possible to easily connect the plants to external equipment suppliers and operational support service.This paper will share examples of how mineral processors have adopted new data strategies such as self-service business intelligence, cloud computing and internal/external collaboration.INTRODUCTIONOne of the main challenges in mineral and metallurgical processing plants is effective energy and water management. The lowering of ore grades requires higher throughputs while the ores are getting more complex with variable mineralogical compositions. Electrical energy supply is becoming a restriction in many countries. Rising water management costs has a direct impact on the profitability of the operations. Grade recovery versus energy consumption in copper production for both open pit and underground mines has been described by Fuerstenau (2001). Comminution uses over 55% of the energy to produce nonferrous metals while other operations require much less energy (Nelson, Richins, & Lelinski, 2013)."

Jan 1, 2016

By W. Petruk

"D. Doyle How large is the beam to which you referred? Are we considering Watts, Griffis the probe of a 1 micron sized particle?& McOuatReply Yes. The beam would be about 1 micron. We could enlarge or reduce it depending on the current in-put.D. Doyle Then chemically bound material we might not see. If you are restricted to 1 micron then you would not be able to separate things smaller than this. Is this not so?Reply We won't be able to analyse it but we will see it as the scanning electron microscope has a resolution down to about 0.1 microns. We should be able to get the general composition of such a grain plus its surrounding grains. We feel we can then make a reasonable estimate if it were as small as 0.1 microns. An accurate analysis would be achieved with grains of 3 and 4 microns.D. Doyle Would this have an application in the hydrocarbon field?Reply The lowest atomic number would be sodium. We wouldn't be able to go below that atomic number. Anything with sodiumor a larger atomic number would enable us to analyse the carbon.M. Fairwether Do you have any policy relating to priorities. For instance areCominco companies going to be limited in the amout of samples permitted to give everyone a chance because quite frankly our company, and I'm sure all base metals companies can hardly wait for the installation of this equipment. I can forsee two years back-log of work in the first month.Reply Quite frankly, I haven't looked at this. At the present time the work is under the START program but I suppose we will have to look at possible changes. Anything under the START program has first line priority.B. Thorndycraft Will the briquetting of samples be automated as well? Pinson MiningReply No, not at this point. Our polish section laboratory is first-class and can turn out 18 polish sections a day which is more thar we can handle.B. Thorndycraft With the capability of this machine to operate in a hands-off manner perhaps it could start to look for the 5 micron gold particle in tailings?Reply I have such a program using a wave-length spectrometer rather than the energy dispersive. The wave-length spectometer is about 10 times as sensitive and would scan the section much faster. A one inch diameter polished section would be scanned in about 7 hours for anything 1 micron or larger."

Jan 1, 1984

By R. Stauber, B. Friedrich, S. Hilgendorf, G. Homm, C. Gellermann

Due to recent regulations limiting tolerated lead concentrations in copper alloys, new recycling strategies have to be considered. This study investigates the suitability of technical approaches in order to recycle leaded copper alloys exemplified by CuZn39Pb2 and produce an alloy in compliance with future lead regulations in the European Union. Three pyrometallurgical methods are considered to achieve this goal, namely vacuum distillation, intermetallic precipitation and fractional crystallisation. The impact of essential process parameters i.e. pressure, temperature, time, atmosphere and quantity of additives are identified using thermochemical and kinetic modelling. An experimental implementation reveals a general suitability of all three refining processes. However, the individual efficiency of the different methods strongly differs. Thus, a detailed assessment is carried out in order to provide an evaluation on the efficiencies of these methods from a technological, economical and environmental point of view. Taking a possible industrial realisation into account, the authors recommend the approach of vacuum distillation, although the energy demanded is comparatively high due to the enthalpy of evaporation for zinc, or rather, lead. However, required lead concentrations can be reached quickly without introducing an external element to the material. The prediction of selectivity and evaporation speed, which are immanent variables for a successful implementation, can be validated experimentally. INTRODUCTION In 2016 approximately 1 million tonnes of leaded copper alloy semi-finished goods with an average lead content of 2.1 Ma% have been produced in the European Union (EU). The global production in the same period exceeded 5.5 million tonnes, while the lead concentration has stayed constant at around 2.4 Ma% for the last 50 years. Up to 80 % of the current production volume is covered with end-of-life scraps, which are used for direct re-melting, depending on the alloy composition. Lead has been a popular alloying element in copper alloys in general, and in particular in brass due to its positive impact on various mechanical, physical and chemical properties, especially machinability. Health and environmental concerns were drivers for many governments to implement limitations on lead. In order to further utilise the resource potential of leaded copper scrap, it is inevitable to develop methods to efficiently eliminate lead from circulation as far as possible. (Glöser, Soulier, & Tercero Espinoza, 2013; Soulier, Glöser-Chahoud, Goldmann & Tercero Espinoza, 2018)

Jan 1, 2019

By Fernando Canales

In the last decade a great dealt of attention has been paid to the chemistry of polynuclear gold derivatives with a central heteroatom, not only from the experimental and structural but also from the theoretical standpoint (1). Interesting hypercoordinated species of the type [C(AuPR3)5]+, [C(AuPR3)6]2+, [N(AuPR3)5]2+, [P(AuPR3)5]2+ and [P(AuPR3)6]3+ have been described (2), apart from other complexes with more conventional stoichiometry, and all have in common the presence of gold-gold interactions of ca. 3 Å. Usually, the chemistry of the first row elements of the p-block is known to follow classical rules of bonding, and only in cases of extreme electron-deficiency has the traditional electron count to be reconsidered to account for special types of molecular or solid state structures. Many of these heteroatomcentered complexes are electron-deficient and the gold-gold interactions provide a significant contribution to their stability. The attraction between these closed-shell systems has recently captured the attention in inorganic and organometallic chemistry (1). P. Pyykkö has summarized the available theoretical and experimental evidence of intra- and inter-molecular interactions between heavy metal atoms, such as Au(I) (3). In general, when heavy metals are involved in such interaction, the closed-shell attractions are of metallophilic or van der Waals type, as has been found for d8, d10 coinage-metals, and d10s2 centers. Experimental evidence for the aurophilic Au(I)???Au(I) attraction is available from crystallography, NMR and Raman spectroscopies, and optical spectroscopic measurements of the interaction strength (4). It is manifested in molecular conformations with relatively close Au???Au interactions of ca. 3 Å, whose strength has been estimated at ca. 25-50 kJ/mol (5). These attractions are weaker than most covalent or ionic bonds, but stronger than other van der Waals bonds and comparable in strength to typical hydrogen bonds. The phenomenon cannot be satisfactorily explained by classical theories such as hybridization (3). From a theoretical point of view, the attractions close to equilibrium distances are caused by dispersive interactions together with relativistic effects (6). The attractive contributions are dominated by pair-excitations from the heavy metal, such as gold, strengthened by relativistic effects. In all the cases where there are inter- or intramolecular metal-metal attractions, the correlation effects are essential; if they are omitted, at the Hartree-Fock (HF) level, repulsive interactions are obtained (6). Hence, it is necessary to use at least second-order Møller-Plesset level (MP2) methods for the dispersive forces, which are included in the electronic correlation effects (7).

Oct 1, 2003