Dynamics of Glycine Dications in the Gas Phase: Ultrafast Intramolecular Hydrogen Migration versus Coulomb Repulsion

被引：83

作者：

Maclot, Sylvain ^{[1
,2
]}

Grzegorz Piekarski, Dariusz ^{[3
]}

Domaracka, Alicja ^{[1
]}

Mery, Alain ^{[1
,2
]}

Vizcaino, Violaine ^{[1
]}

Adoui, Lamri ^{[1
,2
]}

Martin, Fernando ^{[3
,4
]}

Alcami, Manuel ^{[3
,4
]}

Huber, Bernd A. ^{[1
]}

Rousseau, Patrick ^{[1
,2
]}

Diaz-Tendero, Sergio ^{[3
]}

机构：

[1] UCBN, ENSICAEN, CNRS, CEA,CIMAP,UMR 6252, F-14070 Caen 5, France

[2] Univ Caen Basse Normandie, F-14032 Caen 5, France

[3] Univ Autonoma Madrid, Dept Quim, E-28049 Madrid, Spain

[4] Inst Madrilerio Estudios Avanzados Nanociencias I, Madrid 28049, Spain

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2013年 / 4卷 / 22期

关键词：

MULTIPLY-CHARGED IONS; AMINO-ACIDS; FRAGMENTATION; GENERATION; CHEMISTRY; ENOL; MECHANISMS; STABILITY;

D O I：

10.1021/jz4020234

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We present a combined experimental and theoretical study of the complex dynamics of excited doubly ionized glycine molecules in the gas phase. Multicoincidence mass spectroscopic techniques together with ab initio molecular dynamics simulations and density functional theory calculations allow us to show that an ultrafast intramolecular hydrogen migration (similar to 30 fs) appears in competiton with the expected Coulomb repulsion.

引用

页码：3903 / 3909

页数：7

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