%0 Journal Article %1 ISI:000174212600027 %A Magnko, Lilia %A Schweizer, Marcus %A Rauhut, Guntram %A Schütz, Martin %A Stoll, Hermann %A Werner, Hans Joachim %D 2002 %J Phys. Chem. Chem. Phys. %K chemie imported from:alexanderdenzel rauhut theoretische stuttgart theochem %N 6 %P 1006–1013 %R 10.1039/b110624d %T A comparison of metallophilic attraction in (X-M-PH₃)₂(M = Cu, Ag, Au; X = H, Cl) %U http://dx.doi.org/10.1039/b110624d %V 4 %X Energy partitioning schemes have been used to investigate the metallophilic attraction between gold, silver and copper atoms in model dimers of H-M-PH₃ and Cl-M-PH₃ type. Attraction between the monomers is found to be largest for M = Au, but the reduction from Au to Ag (Cu) is not more than 10-20\% (25-35\%). Equilibrium M-M distances, re(M-M), decrease by 0.2-0.3 A from Au to Cu, and by 0.1-0.2 A from Cl to H. An analysis of the intermolecular interaction energy shows that at re(M-M) dispersive and non-dispersive components are about equally important for all systems considered. However, the contribution due to metal nd-nd interaction falls drastically from 43\% (35\%) for Au, over 30\% (27\%) for Ag, to 18\% (13\%) for Cu in the H (Cl) compounds. %@ 1463-9076

@article{ISI:000174212600027, abstract = {Energy partitioning schemes have been used to investigate the metallophilic attraction between gold, silver and copper atoms in model dimers of H-M-PH₃ and Cl-M-PH₃ type. Attraction between the monomers is found to be largest for M = Au, but the reduction from Au to Ag (Cu) is not more than 10-20{\%} (25-35{\%}). Equilibrium M-M distances, re(M-M), decrease by 0.2-0.3 A from Au to Cu, and by 0.1-0.2 A from Cl to H. An analysis of the intermolecular interaction energy shows that at re(M-M) dispersive and non-dispersive components are about equally important for all systems considered. However, the contribution due to metal nd-nd interaction falls drastically from 43{\%} (35{\%}) for Au, over 30{\%} (27{\%}) for Ag, to 18{\%} (13{\%}) for Cu in the H (Cl) compounds.}, added-at = {2019-02-15T17:47:55.000+0100}, author = {Magnko, Lilia and Schweizer, Marcus and Rauhut, Guntram and Sch{\"{u}}tz, Martin and Stoll, Hermann and Werner, Hans Joachim}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/218fbf89e566031ff7e450290b54fc517/theochem}, doi = {10.1039/b110624d}, interhash = {c0abe9fa80226946e2d2222196010531}, intrahash = {18fbf89e566031ff7e450290b54fc517}, isbn = {1463-9076}, issn = {14639076}, journal = {Phys. Chem. Chem. Phys.}, keywords = {chemie imported from:alexanderdenzel rauhut theoretische stuttgart theochem}, number = 6, pages = {1006–1013}, timestamp = {2019-02-15T16:47:55.000+0100}, title = {{A comparison of metallophilic attraction in (X-M-PH₃)₂(M = Cu, Ag, Au; X = H, Cl)}}, url = {http://dx.doi.org/10.1039/b110624d}, volume = 4, year = 2002 }