Structures and spectroscopic properties of SCnS (n=2–6): density functional theory study
作者： Kyung-Hwan Kim , Bosoon Lee , Sungyul Lee
DOI: 10.1016/S0009-2614(98)00971-3
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摘要: Abstract Density functional theory calculations are reported for the carbon clusters bonded with sulfur atoms SC n S ( =2–6). The structures and vibrational frequencies computed by BLYP 6-311G * basis set. Good agreement is obtained between experimentally observed properties. ground states of these molecules shown to be linear. Cyclic also predicted.
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