The structural nature of NCCS + , CNCS + and CCNS + was investigated, which are three stable linear isomers of the [ N, C, C, S ] + system and should be kinetically stable and experimentally observed provided that accurately experimental conditions are available. The linear isomer NCCS + is therbonding characteristics, and positive charge distribution.%NCCS+,CNCS+和CCNS+是[N,C,C,S]+体系中的三个动力学和热力学上稳定性较高的异构体,在精确的实验条件下是可以观察到的.其中,NCCS+是热力学上最稳定的异构体,其次是异构体CNCO+和CCNO+,能量分别比NCCS+高12.98 kcal·mol-1和77.34 kcal·mol-1.利用计算得到的键长,键特征和正电荷密度分布,本研究揭示了这三个异构体的结构本质.
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