| Structure of Pro4H+ investigated by infrared photodissociation（IRPD） spectroscopy and theoretical calculations |
| |
| 作者姓名： | Ru-Xia Feng Lei Mu Shu-Mei Yang Xiang-Lei Kong |
| |
| 作者单位： | a The State Key Laboratory of Elemento-organic Chemistry, Nankai University, Tianjin 300071, China;b Collaborative Innovation Center of Chemical Science and Engineering, Nankai University, Tianjin 300071, China |
| |
| 基金项目： | Financial support from the National Natural Science Foundation of China (Nos. 21172121, 21475065);the Fundamental Research Funds for the Central Universities |
| |
| 摘 要： | Combining with electrospray ionization(ESI)mass spectrometry,infrared photodissociation(IRPD)spectroscopy is a powerful method to study structures of cluster ions in the gas phase.In this paper,infrared photodissociation spectrum of Pro_4H~+in the range of 2700–3600 cm 1was obtained experimentally.Both theoretically predicted spectra of the two most stable isomers of Pro4~(-1) and Pro4~(-2) obtained at the level of M062X/6-31+G(d,p)are in good consistent with the experimental results.The two isomers have similar structures and close energies.Both of them only consist of zwitterionic units,indicating the strong salt-bridged interactions inside the clusters.And the calculated collision cross section(ccs)of Pro4-1 is found to be very close to the experimental result previously reported.
|
| 关 键 词： | IRPD spectroscopy Proline tetramer Theoretical calculations Structure FT ICR MS |
| 本文献已被 CNKI 等数据库收录！ |
| 点击此处可从《中国化学快报》浏览原始摘要信息 |
|
点击此处可从《中国化学快报》下载全文 |
