The A (1)Pi((u)) <- X (1)Sigma(+)((g)) electronic transition of CCN+ and CNC+

Citation
M. Wyss et al., The A (1)Pi((u)) <- X (1)Sigma(+)((g)) electronic transition of CCN+ and CNC+, HELV CHIM A, 84(6), 2001, pp. 1432-1440
Citations number
26
Categorie Soggetti
Chemistry & Analysis",Chemistry
Journal title
HELVETICA CHIMICA ACTA
ISSN journal
0018019X → ACNP
Volume
84
Issue
6
Year of publication
2001
Pages
1432 - 1440
Database
ISI
SICI code
0018-019X(2001)84:6<1432:TA(<X(>2.0.ZU;2-F
Abstract
The electronic absorption spectra of the A (1)Pi ((0)) <-- (1)Sigma (+)((g) ) transition of CCN+ and CNC+ have been observed in a 5 K Ne matrix after m ass selection of C2N-. CCN- has the origin band at 462.0(2) nm. The vibrati onal structure with frequencies 1223(20) and 1725(20) cm(-1) corresponds to the symmetric and antisymmetric stretching modes in the excited state. The origin band of CNC- is observed at 325.7(2) nm, and the system shows exten sive vibrational excitation. Calculations of the potential energy functions of CCN+ and CNC- in their X 1 Sigma (+)((g)) ground state and the A (1)Pi state of CCN+ followed by variational evaluation of the rovibronic energy l evels allows the assignment of the observed spectra. These spectroscopic da ta open the way to gas-phase studies of the astrophysically important C2Nions.