THEORY OF THE D(10)-D(10) CLOSED-SHELL ATTRACTION .2. LONG-DISTANCE BEHAVIOR AND NONADDITIVE EFFECTS IN DIMERS AND TRIMERS OF TYPE [(X-AA-L)(N)] (N = 2, 3, X = CL, I, H, L = PH3, PHME3, -N-CH)

Authors
PYYKKO P MENDIZABAL F
Citation
P. Pyykko et F. Mendizabal, THEORY OF THE D(10)-D(10) CLOSED-SHELL ATTRACTION .2. LONG-DISTANCE BEHAVIOR AND NONADDITIVE EFFECTS IN DIMERS AND TRIMERS OF TYPE [(X-AA-L)(N)] (N = 2, 3, X = CL, I, H, L = PH3, PHME3, -N-CH), Chemistry, 3(9), 1997, pp. 1458-1465
Citations number
41
Categorie Soggetti
Chemistry
Journal title
Chemistry → ACNP
ISSN journal
09476539
Volume
3
Issue
9
Year of publication
1997
Pages
1458 - 1465
Database
ISI
SICI code
0947-6539(1997)3:9<1458:TOTDCA>2.0.ZU;2-3
Abstract
We study the nature of the aurophilic attraction (Au-I-Au-I) at its lo ng-range limit for the model systems [(X-Au-L)(n)] (n = 2, 3; X = Cl, I, L = PH3, PMe3; X = H, L = -N = CH) at the ab initio MP2 and Hartree -Fock levers. The nature of the interactions and nonadditive effects a t various orientations are related to simple electrostatic induction a nd dispersion expressions involving the individual properties of each monomer.