Symmetry selection rules in inelastic collisions of diatomic molecules in 3Π electronic states

1983 ◽  
Vol 79 (3) ◽  
pp. 1545-1546 ◽  
Author(s):  
Millard H. Alexander ◽  
Brigitte Pouilly
Keyword(s):  
Diatomic Molecules ◽  
Electronic States ◽  
Inelastic Collisions ◽  
Selection Rules

Calcul des éléments dipolaires et quadrupolaires de la matrice de transition moléculaire dans Na2

1990 ◽  
Vol 68 (4-5) ◽  
pp. 365-368 ◽  
Author(s):  
K. Hussein ◽  
O. Babaky
Keyword(s):  
Numerical Integration ◽  
Electronic States ◽  
Transition Elements ◽  
Simple Method ◽  
Selection Rules ◽  
Variable Formula ◽  
Method Of Calculation ◽  
Analytical Integration ◽  
Fifth Order

In this paper, we study a calculation of the transition elements [Formula: see text] between electronic states of the diatomic molecules Na2. We show the necessary selection rules for the determination of these operators by a method of analytical integration on the variable [Formula: see text], combined with a numerical integration to fifth order. The values found by this simple method of calculation are very reasonable and show that the important transitions [Formula: see text], [Formula: see text]; and [Formula: see text] of the dimer Na2 are dipolar. [Traduit par la revue]

Electronic states in diatomic molecules

2009 ◽  
pp. 257-291
Author(s):  
Attilio Rigamonti ◽  
Pietro Carretta
Keyword(s):  
Diatomic Molecules ◽  
Electronic States

CORE-EXCITATION-INDUCED BOND BREAKING OF CHEMISORBED MOLECULES PROBED BY EMISSION OF IONS, NEUTRALS, AND ELECTRONS

2002 ◽  
Vol 09 (02) ◽  
pp. 759-768 ◽  
Author(s):  
P. FEULNER ◽  
M. ECKER ◽  
R. ROMBERG ◽  
R. WEIMAR ◽  
A. FÖHLISCH
Keyword(s):  
Excitation Energy ◽  
Noble Metals ◽  
Diatomic Molecules ◽  
Electronic States ◽  
Supplementary Information ◽  
Bond Breaking ◽  
Excited Electronic States ◽  
Core Excitation ◽  
Bond Dissociation

For selected examples of diatomic molecules chemisorbed on transition and noble metals [ N 2 on Ru(001) and Ni(111), CO on Ru(001) and Cu(111)], we survey core-induced bond breaking by N1s and O1s excitation. We demonstrate that supplementary information on the primarily excited electronic states and on the mechanism of bond dissociation is supplied by ions, neutral molecules and atoms, and decay electrons emitted upon electronic evolution. By comparing yields of neutrals and ions, and their translational energies as a function of excitation energy for the different systems, we discriminate between molecular and surface-induced aspects of bond dissociation. In particular we analyze the potential of the substrate–adsorbate interaction to enhance atom selectivity in core-excitation-induced bond breaking.

Electronic states of diatomic molecules: The O 2 + molecular ion

1956 ◽  
Vol 3 (5) ◽  
pp. 893-901 ◽  
Author(s):  
P. Bassani ◽  
E. Montaldi ◽  
F. G. Fumi
Keyword(s):  
Diatomic Molecules ◽  
Electronic States ◽  
Molecular Ion

THE ROTATIONAL ENERGY LEVELS OF DIATOMIC MOLECULES IN 4Σ ELECTRONIC STATES

1962 ◽  
Vol 40 (5) ◽  
pp. 598-606 ◽  
Author(s):  
Jon T. Hougen
Keyword(s):  
Experimental Data ◽  
Diatomic Molecules ◽  
Energy Levels ◽  
Electronic States ◽  
Rotational Energy

Expressions are derived for the rotational energy levels of diatomic molecules in 4Σ states. These expressions contain two rho-type doubling parameters (γ's), and thus differ from earlier expressions which contain only one such parameter. The new expressions are in better agreement with the experimental data, though some discrepancy still exists.

Méthode RAM et Calcul des Fonctions d'Onde Moléculaires Diatomiques et des Facteurs d'Intensité Rotationnelle Tenant Compte du Spin Nucléaire

1973 ◽  
Vol 51 (12) ◽  
pp. 1300-1301 ◽  
Author(s):  
J. L. Féménias ◽  
C. Athénour ◽  
R. Stringat
Keyword(s):  
Electric Dipole ◽  
Nuclear Spin ◽  
Diatomic Molecules ◽  
Electronic States ◽  
Rotational Line ◽  
Line Strengths

Van Vleck's RAM method is used for calculating rotational line strengths in electric dipole transitions between electronic states of diatomic molecules arising from coupling cases which involve the nuclear spin.

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