THE STRUCTURES OF THE CYCLIC C3H RADICAL - AN INTERSTELLAR MOLECULE

Citation
H. Yamagishi et al., THE STRUCTURES OF THE CYCLIC C3H RADICAL - AN INTERSTELLAR MOLECULE, Chemical physics letters, 250(2), 1996, pp. 165-170
Citations number
16
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
250
Issue
2
Year of publication
1996
Pages
165 - 170
Database
ISI
SICI code
0009-2614(1996)250:2<165:TSOTCC>2.0.ZU;2-Z
Abstract
The equilibrium structure of the cyclic C3H radical was obtained by ab initio computation. The total energy at a C-s optimum structure is lo wer than that of a C-2v optimum structure by only 10(-4) hartree and t he adiabatic potential surface for the antisymmetric motion is so flat that no locally bound vibrational level exists around the C-s minimum ; the force constant for the CC antisymmetric stretching mode is about one sixth of that for the CC symmetric stretching mode.