A comprehensive model to predict the microwave spectrum of propyne in the region 17–70 GHz for the ground and v10 = 1, 2, 3, 4, 5 vibrational states
作者： W.M. Rhee , J.A. Roberts
DOI: 10.1016/0022-2852(87)90243-8
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摘要: Abstract A comprehensive model for predicting rotational frequency components in various v 10 vibrational levels of propyne was developed. number the spectra ground and = 1, 2, 3, 4 excited states range 17–70 GHz have been obtained. Molecular constants these vibrationally determined from more than 100 observed transitions. From experimentally a based upon first principals C 3 molecules, expressed form which enables one to predict up 5. The also appears be useful highly but data were not available comparison with theory. Experimentally measured frequencies are presented compared those calculated using results basic perturbation
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