Issue 9, 2004
From the journal:

Physical Chemistry Chemical Physics

Proton transfer in 1,4-dioxane/ammonia hydrogen bond clusters

Tujin Shi,†*a   Dalin Yang,a   Qihe Zhu,a   Jianhong Ge,b   Peng Bai,b   Liusi Sheng,c   Guohua Wuc  and  Yunwu Zhangc  

* Corresponding authors

a The State Key Laboratory of Molecular Reaction Dynamics, Center for Molecular Science, Institute of Chemistry, Chinese Academy of Sciences, Beijing, P. R. China
E-mail: shitujin@yorku.ca
Fax: +1 416 736 5936
Tel: +1 416 736 2100 ext. 40048

b Department of Pharmaceutical Engineering, School of Chemical Engineering, Tianjin University, Tianjin, P. R. China

c The National Synchrotron Radiation Laboratory, USTC, Hefei, P. R. China

Abstract

The photoionization-dissociation patterns of neutral clusters M(NH3)n (M = 1,4-dioxane) were studied by synchrotron radiation and TOF mass spectrometry. The observed major product cations are protonated cluster ions M(NH3)nH+, and the intensities of unprotonated cluster ions M(NH3)n+ are much lower. This phenomenon was also investigated with ab initio MO theory. The calculated results show that the neutral cluster M(NH3)2 is vertically ionized into the unstable cation M–NH3–N+*H3 and the cation easily undergoes a fast barrierless proton-transfer process to form the stable intermediate M(NH3)H+–NH2, then the intermediate dissociates into a protonated ionic cluster M(NH3)H+ and a radical NH2.

About
Cited by
Related
Download options Please wait...

Article information

DOI
https://doi.org/10.1039/B314714B
Article type
Paper
Submitted
14 Nov 2003
Accepted
05 Mar 2004
First published
26 Mar 2004

Phys. Chem. Chem. Phys., 2004,6, 2281-2284

Permissions

Request permissions

Proton transfer in 1,4-dioxane/ammonia hydrogen bond clusters

T. Shi, D. Yang, Q. Zhu, J. Ge, P. Bai, L. Sheng, G. Wu and Y. Zhang, Phys. Chem. Chem. Phys., 2004, 6, 2281 DOI: 10.1039/B314714B

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements