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题名: Photodissociation and density functional calculations of A(2)M(+) and G(2)M(+) (A = adenine, G = guanine, M = Cu, Ag, and Au) cluster ions
作者: Cao, Guo-Jin1; Xu, Hong-Guang2, 3; Xu, Xi-Ling2, 3; Wang, Peng2, 3; Zheng, Wei-Jun2, 3
关键词: Photodissociation ; Density functional calculations ; Nucleobases ; Cluster cations
刊名: INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
发表日期: 2016-08-20
卷: 407, 页:118-125
收录类别: SCI
英文摘要: To understand the interactions between nucleobases and coinage metal cations, we conducted combined photodissociation and density functional theory studies on A(2)M(+) and G(2)M(+) (A=adenine, G=guanine, M=Cu, Ag, and Au) cations. The nucleobase-metal complexes were produced by laser ablation and detected by a reflectron time-of-flight mass spectrometer. The mass peaks of A(2)M(+) and G(2)M(+) cations have high intensities in the mass spectra of A(n)M(+) and G(n)M(+) complexes, indicating that these cations have relatively high stabilities. They were mass-selected and then photodissociated by 266 nm photons. Their photodissociation spectra clearly show that the loss of adenine or guanine is the predominant channel for these complexes. The density functional theory calculations show that A(2)M(+) and G(2)M(+) complexes prefer planar structures with the metal cations interacting with the N atoms in the carbon-nitrogen rings of adenine and guanine. The calculated bond dissociation energies of different dissociation channels are in good agreement with the experimental observed fragment ions. (C) 2016 Elsevier B.V. All rights reserved.
语种: 英语
内容类型: 期刊论文
URI标识: http://ir.iccas.ac.cn/handle/121111/35261
Appears in Collections:分子反应动力学实验室_期刊论文

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作者单位: 1.Shanxi Univ, Inst Mol Sci, Taiyuan 030006, Peoples R China
2.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
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