A quantum chemical study on the linear C2S and C3S molecules
作者： Akinori Murakami
DOI: 10.1086/168916
关键词: Spectral line 、 Physics 、 Rotational spectroscopy 、 Physical chemistry 、 Dipole 、 Pi bond 、 Linear molecular geometry 、 Electron configuration 、 Quantum chemistry 、 Molecule 、 Molecular physics
摘要: The molecular structure of the linear C2S and C3S molecules were studied by a quantum chemical method. calculated rotational constant is 6438 MHz for 2888 C3S. After vibrational correction, these values agree closely with experiment. dipole moments are 2.8 D 3.6 D, respectively. addition carbon atom stabilizes short carbon-chain monosulfides about 100-160 kcal/mol. 18 refs.
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