HEI PHOTOELECTRON SPECTROSCOPIC (PES) STUDIES OF THE ELECTRONIC-STRUCTURE OF AL(CH3)(3), IN(C2H5)(3) AND CD(CH3)(2) COMPOUNDS

Citation
Dx. Wang et al., HEI PHOTOELECTRON SPECTROSCOPIC (PES) STUDIES OF THE ELECTRONIC-STRUCTURE OF AL(CH3)(3), IN(C2H5)(3) AND CD(CH3)(2) COMPOUNDS, Chemical physics letters, 260(1-2), 1996, pp. 95-98
Citations number
14
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
260
Issue
1-2
Year of publication
1996
Pages
95 - 98
Database
ISI
SICI code
0009-2614(1996)260:1-2<95:HPS(SO>2.0.ZU;2-O
Abstract
HeI photoelectron spectra (PES) of Al(CH3)(3), In(C2H5)(3) and Cd(CH3) (2) compounds are recorded. The assignment of the PES bands is made on the basis of bandshape and ab initio SCF MO calculations using the 3- 21G basis sets. Both PES experiment and theoretical calculation show t hat the characters of the HOMO [5e' for Al(CH3)(3), 12e' for In(C2H5)( 3) and 3a(2u) for Cd(CH3)(2)] are mostly metal-carbon antibonding. The bond orders between the metal and carbon atoms for Cd(CH3)(2), Al(CH3 )(3) and In(C2H5)(3) are 0.9251, 0.7166 and 0.6957 respectively. The s trength of metal-carbon bonding is Cd(CH3)(2) > Al(CH3)(3) > In(C2H5)( 3).