Vibronic coupling as a major cause of the anharmonicity of antisymmetric stretching in the ground state of NO 2
Approximate experimental and theoretical information about vibronic coupling of the X ̃ 2A 1 (ground) and A ̃ 2B 2 electronic states of NO 2—by its antisymmetric vibration ν 3( b 2)—is tested in model calculations of the accurately known ground-state levels ν 3 = 0, 1, 2, 3. The test is positive and...
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| Published in | Journal of molecular spectroscopy Vol. 96; no. 2; pp. 331 - 335 |
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| Main Author | |
| Format | Journal Article |
| Language | English |
| Published |
Elsevier Inc
1982
|
| Online Access | Get full text |
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| Summary: | Approximate experimental and theoretical information about vibronic coupling of the
X
̃
2A
1
(ground) and
A
̃
2B
2
electronic states of NO
2—by its antisymmetric vibration
ν
3(
b
2)—is tested in model calculations of the accurately known ground-state levels
ν
3 = 0, 1, 2, 3. The test is positive and it is estimated that 64% of the very large observed anharmonic constant
χ
33 has its origin in vibronic coupling. In this model,
ν
3 in the
à state is predicted at about 1200 cm
−1. |
|---|---|
| ISSN: | 0022-2852 1096-083X |
| DOI: | 10.1016/0022-2852(82)90196-5 |