Kruse H, Hegelund F, Bürger H, Pawelke G
Department of Chemistry, Aarhus University, Aarhus C, DK-8000, Denmark
J Mol Spectrosc. 2000 Oct;203(2):273-284. doi: 10.1006/jmsp.2000.8178.
Of the gas-phase IR spectrum of nitrylfluoride, FNO(2), between 1200 and 1900 cm(-1), the bands nu(4), 2nu(6), nu(2) + nu(3), and nu(1) have been studied at a resolution of ca. 0.003 cm(-1). Improved ground state rotational and centrifugal distortion constants have been obtained from a simultaneous analysis of the data from F. Hegelund, H. Bürger, and G. Pawelke [J. Mol. Spectrosc. 184, 350-361 (1997)] and the present data from nu(4) and nu(1). The nu(4) and 2nu(6) bands are free from local perturbations, and upper state spectroscopic constants have been obtained from the conventional Watson Hamiltonian. The bands nu(1) and nu(2) + nu(3) are strongly perturbed by Coriolis interactions with the nearby dark levels nu(5) + nu(6), nu(3) + nu(6), and nu(2) + nu(5). Upper state constants for nu(1) and nu(2) + nu(3) are obtained from triad and tetrad models, respectively, including Coriolis resonances within this system. In addition Coriolis interaction parameters and the vibrational energies for the three dark states together with some of their rotational constants are determined from the observed perturbation effects on nu(1) and nu(2) + nu(3). Copyright 2000 Academic Press.
对于硝酰氟(FNO₂)在1200至1900 cm⁻¹之间的气相红外光谱,已在约0.003 cm⁻¹的分辨率下研究了ν₄、2ν₆、ν₂ + ν₃和ν₁谱带。通过对F. Hegelund、H. Bürger和G. Pawelke [《分子光谱学杂志》184, 350 - 361 (1997)]的数据以及来自ν₄和ν₁的当前数据进行同时分析,获得了改进的基态转动和离心畸变常数。ν₄和2ν₆谱带没有局部微扰,并且已从传统的沃森哈密顿量获得了上能级光谱常数。ν₁和ν₂ + ν₃谱带受到与附近暗能级ν₅ + ν₆、ν₃ + ν₆和ν₂ + ν₅的科里奥利相互作用的强烈微扰。ν₁和ν₂ + ν₃的上能级常数分别从三元组和四元组模型获得,包括该系统内的科里奥利共振。此外,根据观察到的对ν₁和ν₂ + ν₃的微扰效应,确定了三个暗态的科里奥利相互作用参数、振动能量以及它们的一些转动常数。版权所有2000年学术出版社。