Equilibrium studies of weakly bound Fe(L)(+) complexes with L = Xe, CO2, N-2 and CH4

被引：36

作者：

Dieterle, M

Harvey, JN

Heinemann, C

Schwarz, J

Schroder, D

Schwarz, H

机构：

[1] Institut für Organische Chemie, Technische Universität Berlin

[2] Hoechst AG, Frankfurt/Main

[3] Frankfurt/Main, Hoechst AG

来源：

CHEMICAL PHYSICS LETTERS | 1997年 / 277卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(97)00898-1

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The binding energies of Xe, N-2, CO2 and CH4 to the Fe+ cation have been studied by equilibrium measurements using Fourier-transform mass spectrometry. Reacting mass-selected Fe(CO2)(+) with the mixtures N-2/CH4, CO2/CH4, CO2/Xe, CO2/N-2 and Xe/N-2 provides an internally consistent set of equilibrium constants and free energies Delta Delta G (298 K). Consideration of B3LYP calculated thermal corrections suggests Fe+-Xe < Fe+-CO2 < Fe+-N-2 < Fe+-CH4 for the 0 K bond dissociation energies. Using the literature value for D-0(Fe+-CH4) as an anchor point, D-0(Fe+-Xe) = 11.7 +/- 1.5, D-0(Fe+-CO2) = 13.0 +/- 1.3 and D-0(Fe+-N-2) = 13.4 +/- 1.1 kcal/mol are obtained. (C) 1997 Elsevier Science B.V.

引用

页码：399 / 405

页数：7

共 35 条

[1]

Armentrout P., 1996, ORGANOMETALLIC ION C, P1

[2]

Armentrout P. B., 1996, Organometallic Ion Chemistry

[3] Intrinsic coordination properties of iron in FeO+: Kinetics at 294+/-3 K for gas-phase reactions of the ground states of Fe+ and FeO+ with inorganic ligands containing hydrogen, nitrogen, and oxygen [J].