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A Study of the Conformational Isomerism of n-Propyl Nitrate by Microwave Spectroscopy
Journal of Molecular Spectroscopy ( IF 1.4 ) Pub Date : 2020-11-01 , DOI: 10.1016/j.jms.2020.111376
W. Orellana , Susanna L. Stephens , Stewart E. Novick , S.A. Cooke , Carolyn S. Brauer , Thomas A. Blake

Abstract The rotational spectrum of n-propyl nitrate was measured in the frequency range between 6 to 18 GHz using a Balle-Flygare Fourier transform microwave jet/cavity spectrometer. Parent, 13C and 15N isotopologue transitions for the lower-energy anti-gauche (AG) conformer were found using this instrument. The search for spectra from other conformers was performed using a broadband chirped-pulse jet spectrometer. Transitions from the anti-anti (AA) conformer were observed in this manner. Parent, 13C and 15N isotopologue transitions for the AA conformer were rescanned using the cavity instrument to improve resolution and the signal-to-noise ratio. Rotational, centrifugal distortion, and nuclear electric quadrupole coupling constants for all conformers/isotopologues were fit using Pickett’s SPFIT program. The structure of n-propyl nitrate is discussed considering these results.

中文翻译:

硝酸正丙酯构象异构的微波光谱研究

摘要 使用 Balle-Flygare 傅里叶变换微波射流/​​腔光谱仪在 6 至 18 GHz 的频率范围内测量了硝酸正丙酯的旋转光谱。使用该仪器发现了低能量反 Gauche (AG) 构象异构体的母体、13C 和 15N 同位素体跃迁。使用宽带啁啾脉冲射流光谱仪搜索来自其他构象异构体的光谱。以这种方式观察到来自抗抗 (AA) 构象异构体的转变。使用腔仪器重新扫描 AA 构象异构体的母体、13C 和 15N 同位素体跃迁,以提高分辨率和信噪比。使用 Pickett 的 SPFIT 程序拟合所有构象异构体/同位素体的旋转、离心变形和核电四极耦合常数。
更新日期:2020-11-01
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