激光直接溅射样品产生了系列Ge2Cn和个别GeCn锗/碳二元团簇离子,Ge2Cn系列质谱峰的相对±++强度没有明显的强弱变化规律,而Ge2Cn系列具有一定的奇偶性.采用B3LYP方法对GeCn,GeCn,?±Ge2Cn和Ge2Cn进行构型优化,发现锗原子位于碳链一端和两端的直线构型最稳定.电子态、绝热电离±势、电子亲合势和键能变化值表明,GeCn中性分子在稳定性上存在奇弱偶强的变化规律,而Ge2Cn存在奇强偶弱的变化规律,两系列正负离子的奇偶性则不明显,产生奇偶性的根本原因是价层π电子数.理论计算与实验现象比较说明,在Ge2Cn的实际形成过程中动力学因素起了一定作用.± The direct sputter sample produced a series of Ge2Cn and individual GeCn germanium / carbon binary cluster ions, and the relative ± ++ intensity of the Ge2Cn series peak did not change obviously, while the Ge2Cn series had a certain degree of parity. GeCn, GeCn, Ge2Cn and Ge2Cn were optimized and found that the linear configuration of germanium atoms located at one end and both ends of carbon chain is the most stable.The electronic states, adiabatic ionization potential, electron affinity and bond energy change , GeCn neutral molecules in the stability of the existence of weaker and stronger changes in the law, while Ge2Cn there odd odd weak changes, the two series of positive and negative ions is not obvious parity, the fundamental reason for generating parity is the price of π Electron number.The comparison of theoretical calculation and experiment shows that the kinetic factor plays a certain role in the actual formation of Ge2Cn. ±