Translational energy release: Experiment and theory. H2 elimination reactions of small gas phase ions, and correspondence to HH bond activation

1999 ◽  
Vol 18 (5) ◽  
pp. 285-308 ◽  
Author(s):  
Einar Uggerud
Keyword(s):  
Energy Release ◽  
Gas Phase ◽  
Bond Activation ◽  
Translational Energy ◽  
Release Experiment ◽  
Gas Phase Ions ◽  
Elimination Reactions ◽  
H2 Elimination

Gas-Phase Ion Energetics

2008 ◽  
Author(s):  
José A. Martinho Simões ◽  
Manuel Minas da Piedade
Keyword(s):  
Gas Phase ◽  
Minimum Energy ◽  
Energy Condition ◽  
Ground States ◽  
Experimental Methods ◽  
Translational Energy ◽  
Perfect Gas ◽  
Gas Phase Ions ◽  
Adiabatic Ionization Energy ◽  
Gas Phase Ion

The experimental methods designed to investigate the energetics of gas-phase ions have been another important source of thermochemical data, particularly throughout the past two or three decades. In this chapter, we discuss the main quantities that are measured experimentally and lead to reaction enthalpy values. The adiabatic ionization energy of any molecule AB (mono-, di-, or polyatomic), represented by Ei (AB), is the minimum energy required to remove an electron from the isolated molecule at 0 K: AB(g) → AB+(g) + e−(g) (4.1) The proviso T = 0 signifies that AB is in its electronic, vibrational, and rotational ground states and has no translational energy. The word isolated indicates the perfect gas model. The “minimum energy” condition ensures that AB+ is also in its electronic, vibrational, and rotational ground states and the translational energies of AB+ and e− are both zero; it also indicates that the products in reaction 4.1 do not interact, that is, they also conform with the perfect gas model.

A New Pathway for Activation of C - C and C - H Bonds by Transition Metals in the Gas Phase

2005 ◽  
Vol 58 (2) ◽  
pp. 82 ◽  
Author(s):  
Dongju Zhang ◽  
Ruoxi Wang ◽  
Rongxiu Zhu
Keyword(s):  
Transition Metals ◽  
Gas Phase ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Bond Activation ◽  
Level Density ◽  
Elimination Mechanism ◽  
Activation Of Hydrocarbons ◽  
High Level ◽  
H2 Elimination

C–H and C–C bond activation of hydrocarbons at metal centres are of fundamental importance in biochemistry, organometallic chemistry, and catalysis. The present work aims to search for novel mechanisms for activation of C–C and C–H bonds by transition metals in the gas phase. Using high-level density functional calculations, we systemically studied the reactions of Ti+, V+, and Fe+ with ethane, and proposed new pathways of C–C and C–H bond activation—concerted activation of C–C and C–H bonds, and 1,2-H2 elimination. These two pathways clearly differ from the general addition–elimination mechanism.

Dissecting transmetalation reactions at the molecular level: C–B versus F–B bond activation in phenyltrifluoroborate silver complexes

2021 ◽  
Vol 50 (4) ◽  
pp. 1496-1506
Author(s):  
Fiona Bathie ◽  
Adam W. E. Stewart ◽  
Allan J. Canty ◽  
Richard A. J. O'Hair
Keyword(s):  
Gas Phase ◽  
Bond Activation ◽  
Molecular Level ◽  
Silver Complexes ◽  
Fundamental Model ◽  
Model Reactions

Gas-phase experiments and computation provide fundamental model reactions for aryl and fluoride transfer between silver and boron centres.

Infrared fluorescence relaxation of photoexcited gas‐phase ions by chopped‐laser two‐photon dissociation

1987 ◽  
Vol 86 (4) ◽  
pp. 2081-2086 ◽  
Author(s):  
Robert C. Dunbar ◽  
Jyh Horung Chen ◽  
Hun Young So ◽  
Bruce Asamoto
Keyword(s):  
Gas Phase ◽  
Two Photon ◽  
Gas Phase Ions

Molecular rearrangements in homogeneous gas-phase elimination reactions. Pyrolysis kinetics of alkyl methanesulphonates

1993 ◽  
Vol 6 (2) ◽  
pp. 85-94 ◽  
Author(s):  
Gabriel Chuchani ◽  
Ignacio Martin ◽  
Rosa M. Dominguez ◽  
Alexandra Rotinov ◽  
Sara Pekerarm ◽  
...  
Keyword(s):  
Gas Phase ◽  
Pyrolysis Kinetics ◽  
Molecular Rearrangements ◽  
Elimination Reactions ◽  
Kinetics Of ◽  
Phase Elimination
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