AB-INITIO STUDY ON MO2C8 CLUSTER

Authors
GE MF FENG JK HUANG XR YANG C SUN CC
Citation
Mf. Ge et al., AB-INITIO STUDY ON MO2C8 CLUSTER, Chemical physics letters, 264(1-2), 1997, pp. 139-142
Citations number
23
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
264
Issue
1-2
Year of publication
1997
Pages
139 - 142
Database
ISI
SICI code
0009-2614(1997)264:1-2<139:ASOMC>2.0.ZU;2-Z
Abstract
Quantum chemical ab initio method is used to study the geometric and e lectronic structures of the Mo2C8 cluster. A number of possible isomer ic structures are examined. The most stable structure is found to poss ess C-2h symmetry, where two Mo atoms connect directly each other and each Mo atom connects to four carbon atoms, and this structure can exp lain the existing experimental results.