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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Unimolecular chemistry of doubly protonated zwitterionic clusters
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Unimolecular chemistry of doubly protonated zwitterionic clusters

机译：双质子化两性离子簇的单分子化学

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Electrospray ionization and tandem mass spectrometry experiments have been used to study the fragmentation and electron-ion interactions of doubly charged zwitterionic clusters, [M_(15) + 2H]~(2+) (where M = Glycine Betaine (GB), (CH_3)_3N+CH_2CO _2, and Dimethylsulfonioacetate (DMSA), (CH_3) _2S+CH_2CO_2) which are close to the stability limit, i.e., the Coulomb repulsion of the charge within the cluster competes with attractive forces. The intercluster chemistry was studied using collision-induced dissociation (CID) and electron-induced dissociation (EID) in which the energy of the electrons has been varied from >0 to 30 eV. Experimental results suggest that the zwitterionic binding energy in the clusters follow the order GB > DMSA, which is consistent with theoretical calculations that highlight that the lower dipole moment of DMSA leads to a binding energy of DMSA that is 0.86 times smaller than that for GB. Multiply protonated clusters of both GB and DMSA dissociate through Coulomb explosion, which is in competition with neutral evaporation for DMSA. Electronic excitation of the cluster under EID conditions at higher electron energies >12 eV can lead to new intercluster reactions associated with bond cleavages where differences between the sulfur and nitrogen betaines are minor.
机译：电喷雾电离和串联质谱实验已用于研究双电荷两性离子簇[M_（15）+ 2H]〜（2 +）（其中M =甘氨酸甜菜碱（GB），（CH_3 ）_3N + CH_2CO _2和二甲基磺酰乙酸酯（DMSA），（CH_3）_2S + CH_2CO_2）接近稳定性极限，即簇内电荷的库仑排斥力与吸引力竞争。使用碰撞诱导解离（CID）和电子诱导解离（EID）研究了簇间化学，其中电子能量从> 0到30 eV变化。实验结果表明，两性离子簇中的两性离子结合能遵循GB> DMSA的顺序，这与理论计算相符，该理论强调了DMSA的较低偶极矩会导致DMSA的结合能比GB的小0.86倍。 GB和DMSA的质子化簇通过库仑爆炸解离，这与DMSA的中性蒸发竞争。在EID条件下，当电子能量大于12 eV时，簇的电子激发会导致与键断裂相关的新的簇间反应，其中硫和氮甜菜碱之间的差异很小。

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