Microwave spectroscopy of the HCCS and DCCS radicals (X̃ 2Πi) in excited vibronic states: A study of the Renner–Teller effect

Microwave spectroscopy of the HCCS and DCCS radicals (X̃ 2Πi) in excited vibronic states: A study of the Renner–Teller effect
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激发振动电子态下的 HCCS 和 DCCS 自由基 (X̃ 2Πi) 的微波光谱:Renner-Teller 效应的研究

DOI:
10.1063/1.472715
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发表时间:
1996
影响因子:
4.4
通讯作者:
S. Saito
S. Saito
中科院分区:
化学2区
文献类型:
--
作者:
Jian Tang;S. Saito

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在160-400 GHz的频率范围内研究了HCCS和DCCS自由基的微波谱,并将转动跃迁序列归属于CCS或H(D)CC弯曲振动中的几个低电子振动态。进行分析,以获得相应的振动态的有效常数。发现μ/κ2 π振动态的γeff常数是反常的,在3GHz以下,相同弯曲模的γeff常数变化很大,γeff值可达转动常数Bv的近两倍.这种行为不能用当前的Renner-Teller理论来理解。我们发展了一种理论,包括不同弯曲模式下两个振动2Σ(vt=1)态之间的交叉振动相互作用。由于这些态的振动量子数之差为Δ(v4+v5)=0,因此相互作用的影响比Petelin和Kiselev [Int. J. Quantum Chem. 6,701(1972)]对Δ(v4+v5)=±2的电子振动态所考虑的影响大得多。微积分...
The microwave spectra of the HCCS and DCCS radicals are studied in the frequency range of 160–400 GHz and the rotational transition series are assigned to several low‐lying vibronic states in the CCS or H(D)CC bending vibration. Analysis is carried out to obtain effective constants for respective vibronic states. The γeff constants for the vibronic μ/κ2Σ states are found to be anomalous, in that the variation of the γeff constants in the same bending mode is large up to 3 GHz and the γeff value can reach to nearly twice the rotational constants Bv. This behavior cannot be understood by the current Renner–Teller theory. We have developed a theory to include cross vibronic interaction between two vibronic 2Σ(vt=1) states in different bending modes. Since the difference of the vibrational quantum numbers for these states is Δ(v4+v5)=0, the interaction has a much larger effect than the one considered by Petelin and Kiselev [Int. J. Quantum Chem. 6, 701 (1972)] for the vibronic states with Δ(v4+v5)=±2. Calcula...
DOI: 10.1086/168244
发表时间: 1990
期刊: The Astrophysical Journal
影响因子: --
作者:
S. Yamamoto;S. Saito;H. Suzuki;S. Deguchi;N. Kaifu;S. Ishikawa;M. Ohishi
通讯作者: S. Yamamoto;S. Saito;H. Suzuki;S. Deguchi;N. Kaifu;S. Ishikawa;M. Ohishi