高分辨率傅里叶变换红外光谱法研究亚硝酮基的科里奥利耦合基态和 ν7 模式。

High-resolution Fourier-transform infrared spectroscopy of the Coriolis coupled ground state and ν7 mode of ketenimine.

机构信息

School of Chemistry, Monash University, Wellington Rd., Clayton, Victoria 3800, Australia.

出版信息

J Chem Phys. 2011 Jun 21;134(23):234306. doi: 10.1063/1.3597775.

Abstract

High resolution FTIR spectra of the short lived species ketenimine have been recorded in the regions 390-1300 cm(-1) and 20-110 cm(-1) using synchrotron radiation. Two thousand six hundred sixty transitions of the ν(7) band centered at 693 cm(-1) and 126 far-IR rotational transitions have been assigned. Rotational and centrifugal distortion parameters for the ν(7) mode were determined and local Fermi and b-axis Coriolis interactions with 2ν(12) are treated. A further refinement of the ground state, ν(12) and ν(8) parameters was also achieved, including the treatment of previously unrecognized ac-axis and ab-axis second order perturbations to the ground state.

摘要

使用同步辐射，在 390-1300 cm(-1) 和 20-110 cm(-1) 区域记录了短寿命物种亚乙烯亚胺的高分辨率傅里叶变换红外光谱。已分配了中心在 693 cm(-1) 的 ν(7) 带的 2660 个跃迁和 126 个远红外转动跃迁。确定了 ν(7) 模式的旋转和离心扭曲参数，并处理了局部费米和 b 轴科里奥利相互作用与 2ν(12)。还进一步改进了基态、ν(12)和 ν(8)参数，包括处理以前未识别的基态的 ac 轴和 ab 轴二阶微扰。