Vibrational Constants and Binding Energies for the Low-Lying Electronic States of Sr+CO2from Photodissociation Spectroscopy

2005 ◽  
Vol 109 (31) ◽  
pp. 6860-6864 ◽  
Author(s):  
Maria Massaouti ◽  
Michalis Velegrakis
Keyword(s):  
Electronic States ◽  
Binding Energies ◽  
Vibrational Constants

Research Optical Characteristics of H2S Molecule Adsorption on Agn (n=2,4,6) Clusters

2013 ◽  
Vol 321-324 ◽  
pp. 499-502
Author(s):  
Hong Zhou ◽  
Jun Feng Wang ◽  
Jun Qing Wen ◽  
Wei Bin Cheng ◽  
Jun Fei Wang
Keyword(s):  
Density Functional Theory ◽  
Infrared Spectrum ◽  
Density Functional ◽  
Global Minimum ◽  
Electronic States ◽  
Binding Energies ◽  
Optical Characteristics ◽  
Functional Theory ◽  
Calculation Results ◽  
Planar Geometries

Density-functional theory has been used to calculate the energetically global-minimum geometries and electronic states of AgnH2S (n=2, 4, 6) clusters. The lowest-energy structures of Ag2, Ag4, Ag6, Ag2H2S, Ag4H2S and Ag6H2S clusters were obtained, respectively. The calculation results show that the lowest-energy structures of Ag2, Ag4and Ag6clusters are planar geometries. The binding energies of Agn(n=2, 4, 6) clusters are gradually increasing in our calculations. Compare the infrared spectrum peaks of Ag4cluster with that of Ag6cluster, which show that the peaks shift to shortwave. After adsorption, we found that the peaks shift to shortwave by comparison.

Vibrational constants and binding energies of Sr+Xe

2001 ◽  
Vol 348 (1-2) ◽  
pp. 47-52 ◽  
Author(s):  
Maria Massaouti ◽  
Antonis Sfounis ◽  
Michalis Velegrakis
Keyword(s):  
Binding Energies ◽  
Vibrational Constants

ULTRAVIOLET SPECTRA OF LiH AND LiD

1957 ◽  
Vol 35 (10) ◽  
pp. 1204-1214 ◽  
Author(s):  
R. Velasco
Keyword(s):  
Excited State ◽  
Ground State ◽  
Band System ◽  
Electronic States ◽  
High Dispersion ◽  
Dissociation Energies ◽  
Near Ultraviolet ◽  
Path Lengths ◽  
Vibrational Constants ◽  
Π State

The absorption spectra of LiH and LiD have been observed in the near ultraviolet with high dispersion and absorbing path lengths up to 16 meters. A new band system has been found in each molecule involving the ground state and a 1Π excited state. Rotational and vibrational analyses of this system have been carried out and rotational and vibrational constants for the upper state have been determined. The observed breaking off of the rotational structure of the bands of this B1Π—X1Σ+ system has been interpreted as due to predissociation by rotation. With this assumption very accurate dissociation limits of the B1Π state have been obtained. From these dissociation limits the dissociation energies of the three known electronic states of LiH and LiD have been calculated. In particular the dissociation energies (D0) of the ground states of LiH and LiD have been found to be 2.4288 ± 0.0002 ev. and 2.4509 ± 0.0010 ev., respectively.

Vibrational constants and binding energies for the A 2Π and X 2Σ states of Sr+Kr from photodissociation spectroscopy

1998 ◽  
Vol 108 (7) ◽  
pp. 2712-2717 ◽  
Author(s):  
Dimitris Prekas ◽  
Bao-Hua Feng ◽  
Michalis Velegrakis
Keyword(s):  
Binding Energies ◽  
Vibrational Constants

Electronic states and binding energies in ZnS-ZnSe superlattices

1994 ◽  
Vol 50 (24) ◽  
pp. 18231-18239 ◽  
Author(s):  
B. Gil ◽  
T. Cloitre ◽  
M. Di Blasio ◽  
P. Bigenwald ◽  
L. Aigouy ◽  
...  
Keyword(s):  
Electronic States ◽  
Binding Energies

scholarly journals The band spectrum of nitrogen: new singlet systems

1944 ◽  
Vol 182 (990) ◽  
pp. 286-301 ◽  
Keyword(s):  
Electronic States ◽  
Band Spectrum ◽  
Positive System ◽  
Rotational Analysis ◽  
Active Nitrogen ◽  
Quantum Numbers ◽  
Condensed Discharge ◽  
Upper Level ◽  
Vibrational Constants

Five new systems due to N 2 have been observed in a mildly condensed discharge through nitrogen. Rotational analyses of some of the bands have been made, and it is shown that all correspond to transitions to the a 1 Π u upper level of the Lyman-Birge-Hopfield System. An additional progression of the system studied by Van der Ziel, here referred to as the Fifth Positive System, has been found, necessitating a revision of the upper vibrational quantum numbers. Some of Kaplan’s systems have also been examined, and the rotational analysis of one shows that it corresponds to a transition to the lower level of the Fifth Positive System. This level very probably lies a little below a 1 Π u and must therefore be metastable; it may play an important part in the formation of active nitrogen. The rotational and vibrational constants for the singlet electronic states of N 2 are tabulated.

Binding Energies of the Neutral and Ionic Clusters of Naphthalene in Their Ground Electronic States

2003 ◽  
Vol 107 (22) ◽  
pp. 4381-4386 ◽  
Author(s):  
Takashige Fujiwara ◽  
Edward C. Lim
Keyword(s):  
Electronic States ◽  
Binding Energies ◽  
Ionic Clusters

Vibrational constants of the C2Π, A′2Δ and X2Σ+ electronic states of LaO

1971 ◽  
Vol 40 (3) ◽  
pp. 501-510 ◽  
Author(s):  
David W. Green
Keyword(s):  
Electronic States ◽  
Vibrational Constants

scholarly journals Electronic structure with dipole moment and rovibrational calculations of the MgLi and MgNa molecules

2019 ◽  
Vol 97 (2) ◽  
pp. 133-144 ◽  
Author(s):  
Dunia Houalla ◽  
Sahar Kassem ◽  
Wael Chmaisani ◽  
Mahmoud Korek
Keyword(s):  
Dipole Moment ◽  
Radiative Decay ◽  
Radiative Lifetime ◽  
Line Strength ◽  
Electronic States ◽  
Transition Dipole Moment ◽  
Spectroscopic Constants ◽  
Transition Dipole ◽  
Complete Active Space ◽  
Vibrational Constants

We investigate an orderly study of the adiabatic potential energy curves for 29 and 30 low-lying 2s+1Λ+/− electronic states of the molecules MgLi and MgNa, respectively. The calculation has been done by using the complete active space self-consistent field followed by multi-reference configuration interaction with Davidson correction. For the investigated electronic states, the static and transition dipole moment curves are calculated along with the Einstein coefficients, the emission oscillator strength, the spontaneous radiative lifetime, the line strength, the classical radiative decay rate of the single-electron oscillator, the spectroscopic constants (Te, ωe, ωexe, Be, Re), and the equilibrium dissociation energy De. By means of the canonical functions approach, the ro-vibrational constants Ev, Bv, Dv, and the abscissas of the turning points, Rmin and Rmax, have been calculated for the considered electronic states up to the vibrational level v = 79. The Franck–Condon factors have been calculated and plotted for the transition between the low-lying electronic states of the two considered molecules. A good agreement is revealed between our calculated values and those available in the literature. Fifty new electronic states are investigated in the present work for the first time.

Sign in / Sign up

Export Citation Format

Share Document