The D–X system of the CuI molecule

1992 ◽  
Vol 70 (9) ◽  
pp. 764-771 ◽  
Author(s):  
G. P. Mishra ◽  
V. B. Singh ◽  
S. B. Rai
Keyword(s):  
Fine Structure ◽  
Potential Energy ◽  
Potential Energy Curve ◽  
Weighted Least Squares ◽  
Energy Curve ◽  
Molecular Constants ◽  
Least Squares Fit ◽  
Condon Factors ◽  
Franck Condon ◽  
Π State

The fine structure of the D–X system of the CuI molecule has been reinvestigated following a doubtful and incomplete analysis of this system by Nair and Upadhya. The rotational structure was photographed in emission in the second order of a 10.6 m grating spectrograph with 0.33 Å/mm dispersion. Though the transition of the system was found to be the same as suggested by Nair and Upadhya, the molecular constants are considerably modified. The various molecular constants (cm−1) determined for the D1π state by using a weighted least-squares-fit computer program are as follows: Bc, 0.067 040(4); αc, 0.000 420(4); Dc, 0.250 × 10−7(3); q, −0.000 272(1); rc, 2.445 02(6) Å (1 Å = 10−10 m). The potential energy curve for the D1π state and Franck–Condon factors and r-centroids for the D–X system have also been reported.

The Potential Energy Curve for the B3∑−u State of Oxygen and Accurate Franck-Condon Factors for the Schumann-Runge Bands

1994 ◽  
Vol 163 (1) ◽  
pp. 9-18 ◽  
Author(s):  
A.S.C. Cheung ◽  
D.K.W. Mok ◽  
Y. Sun ◽  
D.E. Freeman
Keyword(s):  
Potential Energy ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
Condon Factors ◽  
Franck Condon

Vibrational Transition Probabilities and Dissociation Energy of the PF Molecule

1993 ◽  
Vol 58 (4) ◽  
pp. 748-753 ◽  
Author(s):  
Narayanan Rajamanickam ◽  
Manuel Fernandez Gomez ◽  
Juan Jesus Lopez Gonzalez
Keyword(s):  
Dissociation Energy ◽  
Ground State ◽  
Potential Energy Curve ◽  
Transition Probabilities ◽  
Energy Curve ◽  
Vibrational Transition ◽  
Condon Factors ◽  
Franck Condon ◽  
Suitable Potential ◽  
Electronic Ground

The Franck-Condon factors (vibrational transition probabilities) and r-centroids have been evaluated by a more reliable numerical interogation procedure for the bands of b1Σ+ - X3Σ- system of the PF molecule, using a suitable potential. The dissociation energy, De = 318 kJ mol-1 for the electronic ground state of this molecule has been estimated by fitting the electronegativity function to the experimental potential energy curve.

The B′2Σ+ → X2Σ+ systems of MgH and MgD

1976 ◽  
Vol 54 (18) ◽  
pp. 1898-1904 ◽  
Author(s):  
Walter J. Balfour ◽  
Hugh M. Cartwright
Keyword(s):  
High Resolution ◽  
Potential Energy ◽  
Dissociation Energy ◽  
Potential Energy Curve ◽  
Energy Levels ◽  
Rotational Energy ◽  
Energy Curve ◽  
Molecular Constants ◽  
Vibrational Levels

The B′2Σ+ → X2Σ+ systems in MgH and MgD have been studied in emission at high resolution. Vibrational and rotational analyses, which have been performed for 37 bands of MgH and 16 bands of MgD, provide data on the following vibrational levels of the B′ state: MgH, ν = 0–9; MgD, ν = 0–2, 4–6. The following molecular constants (in cm−1) have been determined for the B′ state: MgH, Tc = 22 410, ωc = 828.4, ωcxc = 11.8, Bc = 2.585, Dc = 1.2 × 10−4; MgD, Tc = 22 415, ωc = 598.1, ωcxc = 6.4, Bc = 1.346, Dc = 2.6 × 10−5. The dissociation energy, Dc, in the B′ state is estimated to be 10 900 cm−1 (MgH), 11 200 cm−1 (MgD). The RKR potential energy curve for the B′ state has been calculated. A correlation of the rotational perturbations in the B′ → X system with the positions of rotational energy levels in the A2Π and B′2Σ+ states has been made. Observations for the low-lying states of MgH are compared with similar available data for related hydrides.

Electronic States of Molecules. II. Calculations of the Potential‐Energy Curve and Molecular Constants of LiH(X 1Σ+)

1969 ◽  
Vol 51 (2) ◽  
pp. 539-546 ◽  
Author(s):  
R. C. Sahni ◽  
B. C. Sawhney ◽  
M. J. Hanley
Keyword(s):  
Potential Energy ◽  
Potential Energy Curve ◽  
Electronic States ◽  
Energy Curve ◽  
Molecular Constants

Rotational analysis and deperturbation of the C2Σ+–X2Σ+ band systems of BeH and BeD

1983 ◽  
Vol 61 (4) ◽  
pp. 641-655 ◽  
Author(s):  
R. Colin ◽  
C. Dreze ◽  
M. Steinhauer
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Substantial Improvement ◽  
Interaction Matrix ◽  
Energy Curve ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Interaction Matrix Element ◽  
Condon Factors ◽  
Potential Energy Minimum

A new C2Σ+–X2Σ+ transition of BeH and BeD is observed in a beryllium are in hydrogen or deuterium gas mixed with argon. The rotational analysis of the most intense of these strongly red degraded bands, which involve ν′ = 0–2 for BeH and ν′ = 0 for BeD, allows one to derive molecular constants for the new C2Σ+ state. The latter has a large internuclear equilibrium distance (re = 2.301 Å) and a shallow potential energy minimum [Formula: see text]. The principal molecular constants determined are:C2Σ+Tc = 30 953.94 cm−1[Formula: see text]Rotational perturbations between the C2Σ+ and A2Π states are observed in the C–X bands of BeH and BeD and in two new A–X bands of BeH (4–4 and 5–5) which have also been observed and analyzed. These perturbations are treated by a matrix approach and yield a value for the interaction matrix element [Formula: see text].The C–X bands analyzed involve the higher vibrational levels of the X2Σ+ state and allow, therefore, a substantial improvement of the ground state molecular constants to be made and a good Rydberg–Klein–Rees (RKR) potential energy curve to be calculated. The limiting curve of the predissociation confirms the previous value of the dissociation energy [Formula: see text] and indicates that a small maximum, less than 200 cm−1, could exist at [Formula: see text] in the ground state potential energy curve.Franck–Condon factors for the C2Σ+–X2Σ+ bands of BeH and BeD are also calculated.

Structure and analysis of the B–X band system of GaO

1979 ◽  
Vol 57 (3) ◽  
pp. 496-504 ◽  
Author(s):  
B. R. Yadav ◽  
S. B. Rai ◽  
D. K. Rai
Keyword(s):  
High Resolution ◽  
Potential Energy ◽  
Electronic Spectrum ◽  
Band System ◽  
Rotational Structure ◽  
Potential Energy Curves ◽  
Molecular Constants ◽  
X Band ◽  
Condon Factors ◽  
Franck Condon

The electronic spectrum of the GaO molecule has been re-investigated in the region 3600–4200 Å The use of high resolution and dispersion permitted clear resolution of the rotational structure and the formation of head of heads in Δν = + 1 and + 2 sequences is clearly visible. The rotational analyses of the (0,0) and the (1,0) bands have been performed and more reliable molecular constants have been obtained. Intensity anomalies in the bands have been explained on the basis of the true potential energy curves and the associated Franck–Condon factors.

The Molecular Constants and Potential Energy Curve of the Ground StateX1Σ+in KLi

1998 ◽  
Vol 189 (2) ◽  
pp. 244-248 ◽  
Author(s):  
V. Bednarska ◽  
I. Jackowska ◽  
W. Jastrzębski ◽  
P. Kowalczyk
Keyword(s):  
Potential Energy ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
Molecular Constants
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