scholarly journals Dissociation Energies, r-Centroids and Franck-Condon Factors of H2 and N2+ Astrophysical Important Molecules

2021 ◽  
Vol 8 (S1-Feb) ◽  
pp. 111-125
Author(s):  
Lingaraju K ◽  
Narasimhulu G ◽  
Bala Krishnaiah ◽  
Rama Gopal Mohan K ◽  
Ramesha M S
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Analytical Method ◽  
Potential Energy Curves ◽  
Dissociation Energies ◽  
Approximate Analytical Method ◽  
Condon Factors ◽  
Franck Condon ◽  
Good Agreement

The potential energy curves for the ground state of diatomic H2 and N2+ molecules are constructed techniques using the five-parameter H-H function. The estimated dissociation energies are 4.61 ± 0.1 eV and 8.70 ± 0.20 eV for H2 and N2+ respectively. The estimated D0 values are in good agreement with literature values. The r-Centroids and Franck-Condon factors for the bands of C1∏u → X1Σ+g of H2 and A2∏u1 → 4Σu+ X of N2+ molecules have been determined. The Franck-Condon factors are evaluated by the approximate analytical method of Jarmain and Fraser. The absence of the bands in these systems is explained.

Potential energy curves, dissociation energies and Franck–Condon factors of NI and ScI molecules

2002 ◽  
Vol 74 (1) ◽  
pp. 125-131 ◽  
Author(s):  
R.R Reddy ◽  
Y Nazeer Ahammed ◽  
B Sasikala Devi ◽  
P Abdul Azeem ◽  
K Rama Gopal ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Curves ◽  
Dissociation Energies ◽  
Condon Factors ◽  
Franck Condon

Possible schemes of photoassociation processes in the KLi molecule with newly calculated potential energy curves

Open Physics ◽  
2013 ◽  
Vol 11 (9) ◽  
Author(s):  
Łukasz Miądowicz ◽  
Patryk Jasik ◽  
Józef Sienkiewicz
Keyword(s):  
Potential Energy ◽  
Electronic State ◽  
Dipole Moments ◽  
Potential Energy Curves ◽  
Ground Electronic State ◽  
Transition Dipole ◽  
Transition Dipole Moments ◽  
Condon Factors ◽  
Franck Condon ◽  
Calculated Potential Energy

AbstractWe present four promising schemes for photoassociative formation of KLi molecule in its ground electronic state. Analysis is based on newly calculated adiabatic potentials supported by transition dipole moments and Franck-Condon factors.

The Visible Absorption Spectrum of Diatomic Calcium

1975 ◽  
Vol 53 (5) ◽  
pp. 472-485 ◽  
Author(s):  
Walter J. Balfour ◽  
Rodger F. Whitlock
Keyword(s):  
Absorption Spectrum ◽  
Potential Energy ◽  
Ground State ◽  
Electronic States ◽  
Visible Absorption Spectrum ◽  
Weakly Bound ◽  
Visible Absorption ◽  
Condon Factors ◽  
Calcium Vapor ◽  
Franck Condon

The electronic spectrum of calcium vapor has been photographed in absorption from 460 to 600 nm. A many line spectrum due to Ca2 has been identified from vibrational and rotational analyses and a total of 3800 lines involving 47 bands in the A1Σu+ ← X1Σg+ system of 40Ca2 have been assigned. Analysis shows that the X1Σg+ state is weakly bound with a dissociation energy De″ = 1075 ± 150 cm−1. The A1Σu+ state is considerably more stable. Term values, Dunham coefficients, and RKR potential energy curves have been determined for both electronic states, and Franck–Condon factors, with their dependence on rotation, have been evaluated. The more important constants for the ground state are ωe″ = 64.93 cm−1, ωexe″ = 1.07 cm−1, re″ = 0.4277 nm and those of the upper state are, [Formula: see text], [Formula: see text].Le spectre électronique de la vapeur de calcium a été photographié en absorption, de 460 à 600 nm. Un spectre de plusieurs raies provenant de Ca2 a été identifié à partir des analyses vibrationnelle et rotationnelle; on a déterminé les transitions correspondant à un total de 3800 raies appartenant à 47 bandes du système A1Σu+ ← X1Σg+ de 40Ca2. L'analyse montre que l'état X1Σg+ est faiblement lié, avec une énergie de dissociation

scholarly journals Theoretical Study for Potential Energy Curves, Dissociation Energy and Molecular Properties for (LiH, H2, HF) Molecules

2015 ◽  
Vol 59 ◽  
pp. 137-146
Author(s):  
Adil Nameh Ayaash
Keyword(s):  
Binding Energy ◽  
Potential Energy ◽  
Electronic Properties ◽  
Ground State ◽  
Theoretical Study ◽  
Potential Energy Curves ◽  
Spectroscopic Constants ◽  
Electron Affinities ◽  
Dissociation Energies ◽  
Gaussian Program

A theoretical study has been carried out of calculating dissociation energies and potential energy curves (Deng-Fan potential and Varshni potential) and molecular parameters of of ground state of diatomic molecules (LiH, H2, HF). Dissociation energies and potential energy curves depended on spectroscopic constants (ωe, ωexe, re, α, μ, β ,) and our results has been compared with experimental results. Molecular and electronic properties as εHOMO, εLUMO, ionization potentials (IP), electron affinities (EA) and binding energy was performed by using B3P86/6-311++g** method and Gaussian program 03, the results is well in a agreement with that of other researchers.

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