A CLASSIFICATION OF 200 ISOMERIZATIONS AMONG 51 ISOTOPOMERS OF C-8 (D2D)

Authors
SLANINA Z UHLIK F ADAMOWICZ L
Citation
Z. Slanina et al., A CLASSIFICATION OF 200 ISOMERIZATIONS AMONG 51 ISOTOPOMERS OF C-8 (D2D), Journal of radioanalytical and nuclear chemistry, 170(2), 1993, pp. 373-380
Citations number
32
Categorie Soggetti
Chemistry Analytical","Nuclear Sciences & Tecnology","Chemistry Inorganic & Nuclear
Journal title
Journal of radioanalytical and nuclear chemistry → ACNP
ISSN journal
02365731
Volume
170
Issue
2
Year of publication
1993
Pages
373 - 380
Database
ISI
SICI code
0236-5731(1993)170:2<373:ACO2IA>2.0.ZU;2-N
Abstract
The set of all 51 possible C-12/C-13 isotopomers of a C-8 cluster of D 2d symmetry has been studied by means of the harmonic vibration analys is based on the force field resulting from the second order Moller-Ple sset (MP2) perturbation treatment with the 6-31G basis set. The isoto pomers can undergo 200 isomerizations which can be classified into 5 d istinct groups using the properties of sums of the squares of harmonic vibrational frequencies.