The A 1Π(u) ← X 1Σ(g)+ electronic transition of CCN+ and CNC+

被引:0
|
作者
Wyss, M
Riaplov, E
Maier, JP
Hochlaf, M
Rosmus, P
机构
[1] Univ Basel, Inst Chem Phys, CH-4056 Basel, Switzerland
[2] Univ Paris 12, Theoret Chem Grp, F-77454 Champigny Sur Marne, France
关键词
D O I
10.1002/1522-2675(20010613)84:6<1432::AID-HLCA1432>3.0.CO;2-S
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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 mass selection of C2N-. CCN- has the origin band at 462.0(2) nm. The vibrational 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 extensive 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 levels allows the assignment of the observed spectra. These spectroscopic data open the way to gas-phase studies of the astrophysically important C2N+ ions.
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页码:1432 / 1440
页数:9
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