当前位置：
X-MOL 学术
›
Phys. Chem. Chem. Phys.
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
High-resolution infrared spectra and rovibrational analysis of the ν12 band of propylene oxide
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2024-08-27 , DOI: 10.1039/d4cp02943g Karel Vávra 1 , Eileen Döring 1 , Jan Jakob 1 , Fabian Peterß 1 , Matin Kaufmann 1 , Pascal Stahl 1 , Thomas F Giesen 1 , Guido W Fuchs 1
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2024-08-27 , DOI: 10.1039/d4cp02943g Karel Vávra 1 , Eileen Döring 1 , Jan Jakob 1 , Fabian Peterß 1 , Matin Kaufmann 1 , Pascal Stahl 1 , Thomas F Giesen 1 , Guido W Fuchs 1
Affiliation
|
The high-resolution infrared spectrum of the fundamental band ν12 (ring breathing) of the chiral molecule propylene oxide (CH3CHCH2O) was recorded at room temperature and under jet-cooled conditions using a quantum cascade laser at 8 μm. The observed lines with quantum numbers J ≤ 55 and Ka ≤ 21 were assigned to strong b- and c-type bands, and some low J transitions were classified as weak a-type transitions. The lines were fitted using a Watsons A-reduced Hamiltonian in the Ir representation. From the rovibrational analysis the band origin as well as the rotational constants and four quartic centrifugal distortion constants were derived.
中文翻译：
环氧丙烷ν12带的高分辨率红外光谱和振动分析
手性分子环氧丙烷 (CH 3 CHCH 2 O) 基带 ν 12 （环呼吸）的高分辨率红外光谱是在室温和喷射冷却条件下使用 8 μm 量子级联激光器记录的。观察到的量子数J ≤ 55 和Ka ≤ 21 的线被分配给强b型和c型带，一些低J跃迁被归类为弱a型跃迁。这些线是使用 I r表示中的 Watsons A 简化哈密顿量进行拟合的。从旋转分析中得出能带原点以及旋转常数和四个四次离心畸变常数。
更新日期：2024-08-27
中文翻译：
环氧丙烷ν12带的高分辨率红外光谱和振动分析
手性分子环氧丙烷 (CH 3 CHCH 2 O) 基带 ν 12 （环呼吸）的高分辨率红外光谱是在室温和喷射冷却条件下使用 8 μm 量子级联激光器记录的。观察到的量子数J ≤ 55 和Ka ≤ 21 的线被分配给强b型和c型带，一些低J跃迁被归类为弱a型跃迁。这些线是使用 I r表示中的 Watsons A 简化哈密顿量进行拟合的。从旋转分析中得出能带原点以及旋转常数和四个四次离心畸变常数。
京公网安备 11010802027423号