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CCN自由基处于其\(\widetilde{X}(2)\Pi_{r}\)态时\(\nu(2)\)弯曲基频的远红外激光磁共振光谱研究

Far-Infrared Laser Magnetic Resonance Spectroscopic Study of the nu(2) Bending Fundamental of the CCN Radical in Its &Xtilde;(2)Pi(r) State.

作者信息

Allen MD, Evenson KM, Gillett DA, Brown JM

机构信息

National Institute of Standards and Technology, Time and Frequency Division 847, 325 Broadway, Boulder, Colorado, 80303

出版信息

J Mol Spectrosc. 2000 May;201(1):18-29. doi: 10.1006/jmsp.2000.8075.

DOI:10.1006/jmsp.2000.8075
PMID:10753607
Abstract

Bending vibration-rotation transitions between the (010) µ(2)Sigma(-) and (000) (2)Pi(r) vibronic states of the CCN radical in its ground electronic state have been observed using far-infrared laser magnetic resonance (FIR LMR) spectroscopy. Thirteen FIR laser lines were used to record 769 resonances. The LMR data, combined with previous data, were used to determine vibrational, Renner-Teller, fine-structure, rotational, hyperfine, and molecular g-factor parameters using a least-squares fitting routine. The model used was an N(2) effective Hamiltonian modified to include the Renner-Teller effect explicitly in a (2)Pi electronic state. The band origin for the (010) µ(2)Sigma(-) <-- (000) &Xtilde;(2)Pi(r) transition was determined to be 179.598176 +/- 0.000067 cm(-1). The spin-orbit splitting in the ground state was refined and the complete set of (14)N-hyperfine parameters determined for the first time.

摘要

利用远红外激光磁共振(FIR LMR)光谱法,观测到处于基电子态的CCN自由基在(010)μ(2)Σ⁻和(000)(2)Πᵣ振转态之间的弯曲振动-转动跃迁。使用13条FIR激光线记录了769个共振峰。通过最小二乘法拟合程序,将LMR数据与先前数据相结合,用于确定振动、伦纳-泰勒、精细结构、转动、超精细和分子g因子参数。所使用的模型是一个N(2)有效哈密顿量,经过修改以在(2)Π电子态中明确包含伦纳-泰勒效应。(010)μ(2)Σ⁻←(000)&Xtilde;(2)Πᵣ跃迁的带源确定为179.598176±0.000067 cm⁻¹。对基态的自旋-轨道分裂进行了细化,并首次确定了完整的(14)N超精细参数集。

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