Side-on versus end-on bonding of O2 to the FSO3 radical:: Matrix isolation and ab initio study of FSO5

被引：10
|
作者：
Beckers, Helmut
Garcia, Placido
Willner, Helge
Argueello, Gustavo A.
Cobos, Carlos J.
Francisco, Joseph S.
机构：
[1] Purdue Univ, Dept Chem Earth & Atmospher Sci, W Lafayette, IN 47907 USA
[2] Berg Univ Wuppertal, FB C Anorgan Chem, D-42097 Wuppertal, Germany
[3] Univ Nacl Cordoba, INFIQC, Dept Quim Fis, Fac Ciencias Quim, RA-5000 Cordoba, Argentina
[4] Univ Nacl La Plata, CONICET, CICPBA, INIFTA,DEpt Quim,Fac Ciencias Exactas, RA-5000 La Plata, Argentina
来源：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2007年 / 46卷 / 20期
关键词：
density functional calculations; matrix isolation; radicals; vibrational spectroscopy;
D O I：
10.1002/anie.200604346
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
(Figure Presented) Quantum-chemical calculations predict the existence of two almost equal-energy isomers of the FSO5 radical with either side-on or end-on bonding of O2 to FSO3 (see picture). The structure of this polyoxy radical isolated in solid noble-gas matrices and formed by the reaction of FSO3 with molecular oxygen has now been revealed by IR and UV spectroscopic investigations. © 2007 Wiley-VCH Verlag GmbH & Co. KGaA.
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收藏
页码：3754 / 3757
页数：4
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