Structure and spectra of 1,3,2-dioxaphospholenes - 1. Microwave spectra of 2-chloro-4,5-dimethyl-1,3,2-dioxaphospholene and its isotopomers in the ground and excited vibrational statesстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:The microwave spectrum of 2-chloro-4,5-dimethyl-1,3,2-dioxaphospholene (1) was studied in the frequency range from 7 to 53 GHz. Rotational transitions of the parent molecule in the ground and eleven excited vibrational states and those of its mono-substituted Cl-37, C-13(Me) and C-13(Cycle) isotopomers in the ground vibrational state were identified. Rotational constants and partial r(s)-structure were obtained. The quartic centrifugal distortion constants, dipole moment components mu(a) = 3.8D and mu(c) = 0.24D (the total dipole moment mu is 3.81D), and the Cl-35 quadrupole coupling constants were determined for the parent molecule. The fine structure of the microwave transitions in the parent molecule was analyzed under the assumption of noninteracting methyl groups. The height of the barrier to internal rotation (V-30 = V-03 = 665 cm(-1)) and the frequency of torsional vibrations (nu = 167 cm(-1)) were found. The frequencies of two lowest vibrational modes corresponding to deformation vibrations of the five-membered ring were estimated (nu-100 cm(-1)) from the relative intensities of rotational transitions for different vibrational states.