High resolution FTIR spectrum of CH2 D37 Cl: v4 and v8 fundamental bands

被引：0
|
作者：
Stoppa, Paolo [1 ]
Charmet, Andrea Pietropolli [1 ]
Tamassia, Filippo [2 ]
Cane, Elisabetta [2 ]
Melosso, Mattia [3 ]
Achilli, Andre [3 ]
Dore, Luca [3 ]
Puzzarini, Cristina [3 ]
机构：
[1] Univ CaFoscari Venezia, Dipartimento Sci Molecolari & Nanosistemi, Via Torino 155, I-30172 Venice, VE, Italy
[2] Univ Bologna, Dipartimento Chim Industriale Toso Montanari, Viale Risorgimento 4, I-40136 Bologna, Italy
[3] Univ Bologna, Dipartimento Chim Giacomo Ciamician, Via Selmi 2, I-40126 Bologna, Italy
来源：
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER | 2023年 / 309卷
关键词：
Mono-deuterated chloromethane; Infrared spectrum; Spectroscopic parameters; Rovibrational analysis; Coriolis interactions; ROVIBRATIONAL ANALYSIS; SPECTROSCOPY; (CH2DCL)-CL-35; DETECTIONS; PROGRAM; NU(8);
D O I：
10.1016/j.jqsrt.2023.108703
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
The high-resolution Fourier transform infrared spectrum of CH2D37Cl has been analyzed in the region of the v4 and v8 bands from 1170 to 1370 cm -1. The upper states of these fundamentals, separated by 0.6 cm -1, interact with each other by a-type as well as b-type Coriolis resonance, and a strong asymmetric distribution of the intensity of the rotational structure in each band is observed. The spectral analysis resulted in the assignment of 2774 and 1611 rovibrational transitions for v4 and v8 bands, respectively, which have been simultaneously fitted using Watson's A-reduction Hamiltonian in the I r representation and the relevant perturbation operators. A set of spectroscopic constants for the two fundamentals as well as seven coupling terms have been determined. From spectral simulations, the dipole moment ratio |A & mu;a/A & mu;b| of v4 has been determined to be 1.3 & PLUSMN; 0.1 while the intensity ratio between v4 and v8 has been estimated to be 5.0 & PLUSMN; 1.0.& COPY; 2023 Elsevier Ltd. All rights reserved.
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页数：7
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