THE MOLECULAR-STRUCTURE OF DIMETHYLTELLURIUM DICHLORIDE BY GAS ELECTRON-DIFFRACTION AND AB-INITIO CALCULATIONS AT THE MP2 LEVEL

Authors
HAALAND A MARTINSEN KG TAFIPOLSKY MA VOLDEN HV ROSLER R BREUNIG HJ
Citation
A. Haaland et al., THE MOLECULAR-STRUCTURE OF DIMETHYLTELLURIUM DICHLORIDE BY GAS ELECTRON-DIFFRACTION AND AB-INITIO CALCULATIONS AT THE MP2 LEVEL, Journal of molecular structure, 413, 1997, pp. 301-305
Citations number
18
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure → ACNP
ISSN journal
00222860
Volume
413
Year of publication
1997
Pages
301 - 305
Database
ISI
SICI code
0022-2860(1997)413:<301:TMODDB>2.0.ZU;2-V
Abstract
Ab initio calculations at the MP2 level and gas electron-diffraction d ata of (CH3)(2)TeCl2 show that the molecular structure is pseudo-trigo nal bipyramidal with the two methyl groups occupying equatorial positi ons and the two Cl atoms axial positions. The bond distances are (GED/ MP2): Te-C = 213.2(5)/214.6 pm, Te-Cl=250.4(3)/261.8 pm and the valenc e angles angle CTeC = 97(5)degrees/97.6 degrees; angle ClTeCl = 170(2) degrees/170.8 degrees. (C) 1997 Elsevier Science B.V.