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环氧丙烷ν带的高分辨率红外光谱和振转分析

High-resolution infrared spectra and rovibrational analysis of the ν band of propylene oxide.

作者信息

Vávra Karel, Döring Eileen, Jakob Jan, Peterß Fabian, Kaufmann Matin, Stahl Pascal, Giesen Thomas F, Fuchs Guido W

机构信息

Institute of Physics, University of Kassel, Heinrich-Plett-Str. 40, 34132 Kassel, Germany.

出版信息

Phys Chem Chem Phys. 2024 Sep 18;26(36):23886-23892. doi: 10.1039/d4cp02943g.

DOI:10.1039/d4cp02943g
PMID:39233485
Abstract

The high-resolution infrared spectrum of the fundamental band ν (ring breathing) of the chiral molecule propylene oxide (CHCHCHO) was recorded at room temperature and under jet-cooled conditions using a quantum cascade laser at 8 μm. The observed lines with quantum numbers ≤ 55 and ≤ 21 were assigned to strong - and -type bands, and some low transitions were classified as weak -type transitions. The lines were fitted using a Watsons A-reduced Hamiltonian in the I representation. From the rovibrational analysis the band origin as well as the rotational constants and four quartic centrifugal distortion constants were derived.

摘要

在室温及喷射冷却条件下,使用波长为8μm的量子级联激光器记录了手性分子环氧丙烷(CHCHCHO)基频带ν(环呼吸)的高分辨率红外光谱。观测到的量子数J≤55和K≤21的谱线被归属为强A-和C-型谱带,一些低J跃迁被归类为弱Q-型跃迁。这些谱线采用I表示下的沃森A简化哈密顿量进行拟合。通过振转分析得出了谱带起源以及转动常数和四个四次离心畸变常数。

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