scholarly journals Energy Partitioning in Molecular Photodissociation: Methyl Nitrite Photolysis

1983 ◽  
Vol 3 (1-6) ◽  
pp. 97-106 ◽  
Author(s):  
F. Lahmani ◽  
C. Lardeux ◽  
D. Solgadi
Keyword(s):  
Excited States ◽  
Internal State ◽  
Energy Partitioning ◽  
Rotational Excitation ◽  
State Distribution ◽  
Methyl Nitrite ◽  
Two Photon ◽  
Electronically Excited ◽  
Molecular Photodissociation ◽  
High Degree

The photodissociation of methyl nitrite CH3ONO in three different electronically excited states has been studied by determining the internal state distribution of one of the photofragments. The fluorescence of NO A Σ2+ produced for excitation of CH3ONO between 1200 and 1650 Å and of CH3O 2 A1 produced at 1930 Å has been investigated. The vibrational distribution in both species can be explained by statistical considerations. The rotational excitation of NO A Σ2+ is of Boltzmann type. For CH3ONO excited in the first nπ* excited state at 3550 Å the NO X fragment has been probed by a two photon laser excited fluorescence technique. The nascent NO X υ″ = 0, 1, 2, 3 exhibit a population inversion and a high degree of rotational excitation.

scholarly journals The 355 nm Photolysis of Methyl Nitrite

1988 ◽  
Vol 9 (4-6) ◽  
pp. 195-208 ◽  
Author(s):  
C. G. Atkins ◽  
G. Hancock
Keyword(s):  
Electronic State ◽  
Single Photon ◽  
Laser Induced Fluorescence ◽  
Energy Partitioning ◽  
Ground Electronic State ◽  
Spin Orbit ◽  
Methyl Nitrite ◽  
Two Photon ◽  
Broad Agreement ◽  
Internal States

Single photon laser induced fluorescence (LIF) has been used to study the NO fragment produced in its ground electronic state from the 355 nm photolysis of CH3ONO. Populations of rotational, vibrational, spin-orbit and lambda doublet components have been measured. The results are in broad agreement with previous two photon LIF studies, and confirm the dynamics of the process in which the NO fragment departs from an essentially planar CONO framework with non-statistical energy partitioning in the internal states of the products.

scholarly journals Internal Energy Distribution in MgO(a3Π) Formed From Mg(3P) + O2 and N2O : A Case of Population Inversion

1986 ◽  
Vol 6 (1) ◽  
pp. 15-35 ◽  
Author(s):  
Bernard Bourguignon ◽  
Joelle Rostas ◽  
Guy Taieb ◽  
Mohammed-Ali Gargoura ◽  
June McCombie
Keyword(s):  
Ground State ◽  
Fluorescence Spectra ◽  
Population Distribution ◽  
Internal State ◽  
Boltzmann Distribution ◽  
Rotational Excitation ◽  
State Distribution ◽  
Population Distributions ◽  
Vibrational Population ◽  
Π State

The internal state distribution of MgO(a3Π) formed from Mg(3P) + O2 and N2O reactions was determined from a reanalysis of the laser induced fluorescence spectra of the d3Δ - a3Π system previously published by Dagdigian. The MgO(a3Π) state formed in the reaction with O2 has a quasi-Boltzmann distribution. In the N2O reaction the rotational excitation is much greater and the vibrational population distribution is inverted with a maximum at v = 2 - 3. The a3Π rovibrational population distributions are compared with those of the X1∑+ ground state. The dynamics of these reactions are discussed on the basis of earlier ab-initio calculations and experimental data.

scholarly journals Beyond the molecular orbital conception of electronically excited states through the quantum theory of atoms in molecules

2014 ◽  
Vol 16 (20) ◽  
pp. 9249-9258 ◽  
Author(s):  
David Ferro-Costas ◽  
Ángel Martín Pendás ◽  
Leticia González ◽  
Ricardo A. Mosquera
Keyword(s):  
Quantum Theory ◽  
Electron Density ◽  
Molecular Orbital ◽  
Excited States ◽  
Energy Partitioning ◽  
Electronically Excited States ◽  
Electronically Excited ◽  
Density Analysis ◽  
P Application ◽  
Electron Density Analysis

Application of QTAIM electron density analysis and energy partitioning based on it provide quantitative support for qualitative predictions derived from the MO paradigm, as well as further descriptions for electron density rearrangements in electronically excited states.

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