ISOTOPIC INFRARED-ABSORPTION STUDY OF C-5(-), C-7(-), AND C-9(-) CARBON CLUSTER ANIONS IN AR MATRICES

Authors
SZCZEPANSKI J HODYSS R VALA M
Citation
J. Szczepanski et al., ISOTOPIC INFRARED-ABSORPTION STUDY OF C-5(-), C-7(-), AND C-9(-) CARBON CLUSTER ANIONS IN AR MATRICES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(43), 1998, pp. 8300-8304
Citations number
28
Categorie Soggetti
Chemistry Physical
Journal title
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory → ACNP
ISSN journal
10895639
Volume
102
Issue
43
Year of publication
1998
Pages
8300 - 8304
Database
ISI
SICI code
1089-5639(1998)102:43<8300:IISOCC>2.0.ZU;2-#
Abstract
The carbon cluster anions C-5(-), C-7(-), and C-9(-) have been formed via a dual laser beam technique, trapped in Ar matrixes, and studied b y infrared spectroscopy. C-13-Isotopic substitution combined with dens ity functional (B3LYP/6-31G) calculations of vibrational frequencies and intensities has led to the assignment of asymmetric stretching mod es in the three anionic clusters. From the excellent fit of the calcul ated and experimental singly C-13-substituted cluster bands, a linear geometry for all three clusters has been determined.