Gas phase oxygenation of benzene derivatives at ca 300 K with O(3P) atoms produced by microwave discharge of N2O. Part 1. Rates and mechanism of phenol formation

1990 ◽  
pp. 937 ◽  
Author(s):  
Veronica M. Sol ◽  
Michiel A. van Drunen ◽  
Robert Louw ◽  
Peter Mulder
Keyword(s):  
Gas Phase ◽  
Microwave Discharge ◽  
Benzene Derivatives

Gas Phase Oxygenation of Benzene Derivatives with O(3P) Atoms Produced by MD of N2O

1988 ◽  
pp. 135-136
Author(s):  
Veronica M. Sol ◽  
Robert Louw ◽  
Peter Mulder
Keyword(s):  
Gas Phase ◽  
Benzene Derivatives

Electron resonance of electronically excited SO( 1 ∆) in the gas phase

1966 ◽  
Vol 293 (1432) ◽  
pp. 108-116 ◽  
Keyword(s):  
Gas Phase ◽  
Microwave Discharge ◽  
Electronic States ◽  
Rotational Constant ◽  
Phase Reaction ◽  
Line Pattern ◽  
Electron Resonance ◽  
Gas Phase Reaction ◽  
Electronically Excited ◽  
Carbonyl Sulphide

The gas phase reaction between carbonyl sulphide and the products of a microwave discharge in molecular oxygen has been studied by electron resonance. In addition to absorption lines from O 2 and SO in their ground electronic states, a four-line pattern due to SO in its excited 1 ∆ state is observed. Analysis of this spectrum yields the rotational constant B 0 for the 1 ∆ state, from which the bond length is calculated to be 1·493 Å.

Electrostatic interactions as a factor in the determination of the HOMO in the liquid state

1986 ◽  
Vol 64 (12) ◽  
pp. 2353-2358 ◽  
Author(s):  
Enrique Sánchez Marcos ◽  
Joaquín Maraver ◽  
Manuel F. Ruíz-López ◽  
Juan Bertrán
Keyword(s):  
Gas Phase ◽  
Molecular Orbital ◽  
Perturbation Analysis ◽  
Liquid State ◽  
Electrostatic Interactions ◽  
Orbital Evolution ◽  
Benzene Derivatives ◽  
Cavity Model ◽  
Ellipsoidal Cavity

An ellipsoidal cavity model has been used to study the energy changes in occupied molecular orbitals induced by solute–solvent electrostatic interactions. Some benzene derivatives have been selected as solutes. Calculations have been carried out at the CNDO and abinitio STO-4G levels. Important variations in the molecular orbital sequence, involving a change in the HOMO nature, have been observed. A perturbation analysis is employed to understand the orbital evolution from gas phase to solution.

Sign in / Sign up

Export Citation Format

Share Document