Janus Face Aspect of All-cis 1,2,3,4,5,6-Hexafluorocyclohexane Dictates Remarkable Anion and Cation Interactions In the Gas Phase

被引：62

作者：

Ziegler, Blake E. ^{[1
]}

Lecours, Michael ^{[1
]}

Marta, Rick A. ^{[1
]}

Featherstone, Joshua ^{[1
]}

Fillion, Eric ^{[1
]}

Hopkins, W. Scott ^{[1
]}

Steinmetz, Vincent ^{[2
]}

Keddie, Neil S. ^{[3
]}

O'Hagan, David ^{[3
]}

McMahon, Terrance B. ^{[1
]}

机构：

[1] Univ Waterloo, Dept Chem, Waterloo, ON N2L 3G1, Canada

[2] Lab Chim Phys CLIO, Batiment 201,Campus Univ Orsay, F-91405 Orsay, France

[3] Univ St Andrews, EastCHEM Sch Chem, St Andrews KY16 9ST, Fife, Scotland

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2016年 / 138卷 / 24期

基金：

英国工程与自然科学研究理事会; 加拿大自然科学与工程研究理事会;

关键词：

BOND-DISSOCIATION ENERGIES; ION-CYCLOTRON RESONANCE; ETHER COMPLEXES; AFFINITIES; THERMOCHEMISTRY; FLUORIDE; BINDING; SPECTROSCOPY; MOLECULES; BENZENE;

D O I：

10.1021/jacs.6b02856

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Experiments have been carried out in which electrospray ionization has been used to generate ionic complexes of all-cis 1,2,3,4,5,6 hexafluorocyclohexane. These complexes were subsequently mass isolated in a quadrupole ion trap mass spectrometer and then irradiated by the tunable infrared output of a free electron laser in the 800-1600 cm(-1) range. From the frequency dependence of the fragmentation of the complexes, vibrational signatures of the complexes were obtained. Computational work carried out in parallel reveals that the complexes formed are very strongly bound and are among the most strongly bound complexes of Na+ and Cl- ever observed with molecular species. The dipole moment calculated for the heaxafluorocyclohexane is very large (similar to 7 D), and it appears that the bonding in each of the complexes has a significant electrostatic contribution.

引用

页码：7460 / 7463

页数：4

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