Correlation of Molecular Constants. II. Relation between Force Constant and Equilibrium Internuclear Distance

1958 ◽  
Vol 28 (6) ◽  
pp. 1081-1089 ◽  
Author(s):  
Yatendra Pal Varshni
Keyword(s):  
Force Constant ◽  
Internuclear Distance ◽  
Molecular Constants ◽  
Equilibrium Internuclear Distance

A new predissociated 2Σ+ state of the BeCl molecule

1977 ◽  
Vol 55 (6) ◽  
pp. 582-588 ◽  
Author(s):  
M. Carleer ◽  
B. Burtin ◽  
R. Colin
Keyword(s):  
Excited State ◽  
High Resolution ◽  
Dissociation Energy ◽  
Intensity Distribution ◽  
Internuclear Distance ◽  
Ground State ◽  
Thermochemical Data ◽  
Molecular Constants ◽  
Equilibrium Internuclear Distance ◽  
A Value

Ten bands belonging to a new B2Σ+–X2Σ+ system of the BeCl molecule have been discovered in emission between 1990 and 2175 Å. The bands of both isotopes Be35Cl and Be37Cl have been photographed at high resolution and the most intense ones have been rotationally analyzed. Only three levels of the excited state have been observed and they present vibrational and rotational perturbations. The principal molecular constants of the new B2Σ+ state of Be35Cl are: v00 = 48 827.6, ΔG1/2 = 925.5, ΔG3/2 = 1212.7, Be = 0.7751, De = 3.5 × 10−6 cm−1, and the equilibrium internuclear distance is 1.7422 Å. The unusual intensity distribution in the bands can be tentatively interpreted as the result of an inverse predissociation which leads to a value of D″0 = 27 800 ± 500 cm−1 (3.45 ± 0.06 eV) for the dissociation energy of the ground state of the BeCl molecule. This value is at variance with thermochemical data.

BAND SPECTRUM AND STRUCTURE OF THE BCl MOLECULE

1941 ◽  
Vol 19a (11) ◽  
pp. 127-137 ◽  
Author(s):  
G. Herzberg ◽  
W. Hushley
Keyword(s):  
Fine Structure ◽  
Internuclear Distance ◽  
Ground State ◽  
Vibrational Structure ◽  
Sixth Order ◽  
Band Spectrum ◽  
Molecular Constants ◽  
Rotational Constants ◽  
New Formula

The 1Π−1Σ+ system of the BCl molecule has been photographed in the sixth order of a 20 ft. grating. The previous interpretation of the vibrational structure by Miescher (5) is slightly modified. The new formula for the Q heads of the B11Cl35 molecule is[Formula: see text]The fine structure of a number of bands has been measured and analysed, leading to the following accurate values for the rotational constants: B′e = 0.7054 cm.−1, α′e = 0.00820 cm.−1, B″e = 0.6838 cm.−1, α″e = 0.00646 cm.−1. The internuclear distance in the ground state is r″e = 1.716.10−8 cm. The molecular constants of BCl are compared with those of the iso-electronic molecules CS, PN, and SiO as well as with those of BBr, BCls, and BBr3.

Normal Coordinate Analysis of Some Nitrogen-Halogen Compounds

1970 ◽  
Vol 25 (2) ◽  
pp. 169-173 ◽  
Author(s):  
K. Ramaswamy ◽  
N. Mohan
Keyword(s):  
Potential Energy ◽  
Linear Relationship ◽  
Force Constant ◽  
Bond Order ◽  
Normal Coordinate Analysis ◽  
Normal Coordinate ◽  
Molecular Constants ◽  
Halogen Compounds ◽  
Bond Stretching ◽  
Energy Constants

The approximate force fields for a group of nitrogen halogen compounds like ONF3, NF3, NF2Cl, NFCl2, NF2D and NCl3 were studied using the kinematic methods of Herranz and Torkington. It was found that the application of Torkington's method yields a reliable set of potential energy constants consistent with other molecular constants. A linear relationship between the N -F bond stretching force constants and the bond order was found to exist. It was also found that the value of the N-F bond stretching force constant is proportional to the number of fluorine atoms substituted.

Polarizability and internuclear distance in the hydrogen molecule and molecule-ion

1950 ◽  
Vol 203 (1074) ◽  
pp. 364-374 ◽  
Keyword(s):  
Wave Function ◽  
Raman Scattering ◽  
Internuclear Distance ◽  
Hydrogen Molecule ◽  
Wave Functions ◽  
Fair Agreement ◽  
Equilibrium Internuclear Distance ◽  
Internuclear Distances

The polarizability of the hydrogen molecule-ion has been calculated for a range of internuclear distances, using various types of wave-functions. It is concluded that the values obtained for the polarizability are relatively insensitive to the choice of wave-function. Similar calculations have been made for the hydrogen molecule, using an LCAO wave-function. The value obtained for the polarizability at the equilibrium internuclear distance is in fair agreement with experiment and with the results of earlier calculations. The predicted variation of polarizability with internuclear distance agrees approximately with that deduced previously from the refractivities of hydrogen and deuterium, but is greater than that derived from the observed intnesities of Rayleigh and Raman scattering.

A New Relation between Dissociation Energy and Molecular Constants of Diatomic Molecules

1975 ◽  
Vol 30 (1) ◽  
pp. 21-27
Author(s):  
M. P. Bhutra ◽  
S. P. Tandon ◽  
P. P. Vaishnava
Keyword(s):  
Potential Function ◽  
Force Constant ◽  
Dissociation Energy ◽  
Diatomic Molecules ◽  
Equilibrium Distance ◽  
Molecular Constants ◽  
Accurate Relation

Abstract An accurate relation, connecting dissociation energy D0, force constant for infinitesimal amplitude ke and internuclear equilibrium distance re has been deduced from Varshni and Shukla's potential function. It is of the form D0=ke {A + B re2 + C re4), where A, B and C are constants and are the same for groups of similar diatomic molecules. The values of D0 estimated by this relation are in better agreement with the observed ones than those estimated by Somayajulu, and Tandon et al.

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