Microwave spectrum,structure, dipole moment,quadrupole coupling constant,and internal motion of thioformamide |
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Authors: | Ryoka Sugisaki Takehiko Tanaka Eizi Hirota |
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Institution: | Department of Chemistry, Faculty of Science, Kyushu University, Fukuoka, Japan |
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Abstract: | The rs structure of thioformamide has been determined from the microwave spectra of the normal as well as isotopic species of the molecule. The structural parameters obtained assuming the planarity of the molecule are .The dipole moment is calculated from the Stark effects of the three transitions to be μa = 3.99 ± 0.02 D, μb = 0.13 ± 0.25 D, and μtotal = 4.01 ± 0.03 D, where the c component is assumed to be zero.The quadrupole coupling constant of the 14N nucleus is estimated using the doublet splittings observed for six Q-branch transitions; χcc - χbb = ?5.39 ± 0.15 MHz and χaa = 2.9 ± 1.2 MHz.Two sets of vibrational satellites are observed and assigned to the first excited state of the amino wagging and the NCS bending vibrations, respectively. The relative intensity measurement gives the vibrational energies of 393±40 cm?1 and 457 ± 50 cm?1 for NH2CHS and 293 ± 30 cm?1 and 393 ± 40 cm?1 for ND2CHS. The amino wagging inversion vibration in the molecule is discussed in comparison with that in formamide. It is most probable that the thioformamide molecule is also planar without any potential hump to the amino inversion at the planar configuration. |
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