丝氨酸构象光电离阈值解离中的空间效应
Steric Effect in Threshold Photoionization Dissociations of Serine Conformers
摘要：
采用高水平从头计算结合我们新开发的红外激光解吸/可调谐真空紫外光电离质谱研究了丝氨酸构象[CH_2 OH-C \alphaH（NH_2）-C \betaOOH ]阈值解离电离的空间位阻效应.我们发现，在电离阈值附近，Cα-Cβ和Cα-C键被选择性地断裂，产生不同的碎片.阈值光电离解离涉及到新的动力学过程，即预解离碎片之间的质子转移和重取向。
英文摘要：
Steric effect in the threshold dissociative ionizations of serine conformers [CH2OH-C\alphaH(NH2)-C\betaOOH] is revealed by high-level ab initio calculations combined with our newly developed infrared laser desorption / tunable VUV photoionization mass spectrometry. We find that near the ionization thresholds the Cα-Cβand Cα-C bonds are selectively broken for the respective cationic conformers, yielding the different fragments. Novel dynamic processes, proton transfer and reorientation between the predissociative fragments, are involved in the threshold photoionization dissociations.
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