Chuan-Yuan Lin, Robert C. Dunbar, Chris L. Haynes, P. B. Armentrout, D. Scott Tonner, Terrance B. McMahon
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引用次数: 14
摘要
采用阈值碰撞诱导解离(CID)和零压力热红外辐射诱导解离(ZTRID)两种新方法研究了四甲基硅烷阳离子的解离热化学。对于SiMe4+中一个甲基的损失，两种方法得到的0 K键离解能分别为0.72 eV (CID)和0.67 eV (ZTRID)。这些数值得到了间接热化学计算和从头算(MP2)键强度计算的支持。该结合强度的最佳值为0.69±0.06 eV。根据CID测量结果，进一步确定了SiMe2+?Me(5.32±0.28 eV)， SiMe+?Me(1.27±0.50 eV)， Si+?Me(4.29±0.06 eV)。给出了SiMex+组分(x = 0?4)新的或重新评估的生成热值。
Dissociation Thermochemistry of Tetramethylsilane Ion. Comparative Determination by Thermal Dissociation and Threshold Collisional Dissociation
The dissociation thermochemistry of tetramethylsilane cation was investigated by two new methods, threshold collision-induced dissociation (CID) and zero-pressure thermal infrared radiation-induced dissociation (ZTRID). For the loss of a methyl group from SiMe4+, the two methods gave 0 K bond dissociation energies of 0.72 eV (CID) and 0.67 eV (ZTRID). These values were supported by an indirect thermochemical calculation and by an ab initio (MP2) bond strength calculation. A best value for this bond strength of 0.69 ± 0.06 eV is assigned. From the CID measurements, further bond strengths were assigned for SiMe2+−Me (5.32 ± 0.28 eV), SiMe+−Me (1.27 ± 0.50 eV), and Si+−Me (4.29 ± 0.06 eV). New or reevaluated heat of formation values are given for the SiMex+ species (x = 0−4).
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