The A–X system of the CuCl molecule

1981 ◽  
Vol 59 (2) ◽  
pp. 289-297 ◽  
Author(s):  
G. P. Mishra ◽  
S. B. Rai ◽  
K. N. Upadhya
Keyword(s):  
High Resolution ◽  
Ground State ◽  
Electronic Transition ◽  
Band System ◽  
Rotational Structure ◽  
Molecular Constants ◽  
X Band ◽  
Standard Deviations ◽  
Concave Grating ◽  
Π State

The A–X band system of CuCl has been photographed in emission under high resolution in the 2nd order of a 10.6 m concave grating spectrograph. Rotational structure in four bands, viz. (1,0), (0,0), (0,1), and (1,2) has been analysed. The present analysis confirms that in the A–X system the electronic transition involved is 1Π–1Σ where 1Σ is the ground state of the molecule. The Λ-type doubling in the 1Π state is found to be appreciable. The molecular constants for the excited A state of 63Cu35Cl are (with standard deviations in parentheses): Be = 0.168432(7) cm−1; αe = 0.001067(7); De = 0.1134(11) × 10−6; q = 0.000871(9); qD = 0.85(18) × 10−8; ν10 = 19 500.271(8); ν00 = 18 999.104(7); ν01 = 18 579.735(10); and ν12 = 18 574.745(11).

STRUCTURE OF THE BAND SPECTRUM OF CuCl MOLECULE: II. ROTATIONAL STRUCTURE OF THE F–X BAND SYSTEM OF Cu65Cl35

1962 ◽  
Vol 40 (4) ◽  
pp. 412-422 ◽  
Author(s):  
P. Ramakoteswara Rao ◽  
R. K. Asundi ◽  
J. K. Brody
Keyword(s):  
High Resolution ◽  
Electronic Transition ◽  
Band System ◽  
Rotational Structure ◽  
Band Spectrum ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
X Band ◽  
Π State

The F–X band system of Cu65Cl35 extending from 3700 to 4200 Å has been photographed in emission under high resolution. Rotational analysis of the (3,0), (2,0), (1,0), (0,0), (0,1), and (0,2) bands of the system has been made. The electronic transition involved is found to be 1Π–1Σ. The Λ-type doubling in the 1Π state is negligible. The principal molecular constants obtained are as follows (cm−1 units)[Formula: see text]

THE ELECTRONIC EMISSION SPECTRUM AND MOLECULAR CONSTANTS OF IODINE MONOFLUORIDE

1966 ◽  
Vol 44 (2) ◽  
pp. 337-352 ◽  
Author(s):  
R. A. Durie
Keyword(s):  
High Resolution ◽  
Emission Spectrum ◽  
Dissociation Energy ◽  
Band System ◽  
Vibrational Analysis ◽  
Rotational Structure ◽  
Molecular Constants ◽  
Present Evidence ◽  
Halogen Compounds ◽  
Concave Grating

Observation by the author (Durie 1951) of a well-developed band system in the emission from an iodine–fluorine flame provided the first evidence for the existence of iodine monofluoride (IF), the last of the six possible diatomic inter-halogen compounds to be detected. The spectrum, which lies in the region 4 300 to 7 600 Å, has since been photographed under high resolution using a 21-ft concave grating spectrograph. The rotational structure of the bands is shown to be consistent with an A3Π0+ → X1Σ transition in the IF molecule. A rotational and vibrational analysis of the bands has been carried out and the molecular constants evaluated for IF. The results are as follows:[Formula: see text]The present evidence relating to the value of the dissociation energy of IF is discussed.

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.

BAND SPECTRUM AND STRUCTURE OF THE CH+ MOLECULE; IDENTIFICATION OF THREE INTERSTELLAR LINES

1942 ◽  
Vol 20a (6) ◽  
pp. 71-82 ◽  
Author(s):  
A. E. Douglas ◽  
G. Herzberg
Keyword(s):  
Ground State ◽  
Band System ◽  
Lower State ◽  
Band Spectrum ◽  
Interstellar Space ◽  
Molecular Constants ◽  
Vibrational Levels ◽  
State Formula ◽  
Heat Of Dissociation ◽  
Π State

In a discharge through helium, to which a small trace of benzene vapour is added, a new band system of the type 1Π – 1Σ is found which is shown to be due to the CH+ molecule. The R(0) lines of the 0–0, 1–0, and 2–0 bands of the new system agree exactly with the hitherto unidentified interstellar lines 4232.58, 3957.72, 3745.33 Å, thus proving that CH+ is present in interstellar space. At the same time this observation of the band system in absorption shows that the lower state 1Σ is the ground state of the CH+ molecule. The new bands are closely analogous to the 1II – 1Σ+ BH bands. The analysis of the bands leads to the following vibrational and rotational constants of CH+ in its ground state: [Formula: see text], Be″ = 14.1767, αe″ = 0.4898 cm.−1. The internuclear distance is re″ = 1.1310∙10−8 cm. (for further molecular constants see Table V). From the vibrational levels of the upper 1Π state the heat of dissociation of CH+ can be obtained within fairly narrow limits: D0(CH+) = 3.61 ± 0.22 e.v. From this value the ionization potential of CH is derived to be I(CH) = 11.13 ± 0.22 e.v. The bearing of this value on recent work on ionization and dissociation of polyatomic molecules by electron impacts is briefly discussed.

STRUCTURE OF THE BAND SPECTRUM OF THE CuBr MOLECULE: I. ROTATIONAL STRUCTURE OF THE C SYSTEM OF 63Cu81Br

1967 ◽  
Vol 45 (8) ◽  
pp. 2805-2807 ◽  
Author(s):  
P. Ramakoteswara Rao ◽  
K. V. S. R. Apparao
Keyword(s):  
Fine Structure ◽  
High Resolution ◽  
Structure Analysis ◽  
Band System ◽  
Rotational Structure ◽  
Band Spectrum ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Fine Structure Analysis

The C band system of 63Cu81Br, lying in the region 3 900–4 600 Å, has been photographed in emission under high resolution and rotational analysis of the (2–0), (1–0), (0–0), (0–1), (0–2), and (1–3) bands carried out. The system is shown to involve a 1Σ(C1Σ)–1Σ(X1Σ) transition. The molecular constants of 63Cu81Br obtained from this fine-structure analysis are as follows:[Formula: see text]

The Ground State and A2Π Excited State of Magnesium Deuteride

1975 ◽  
Vol 53 (15) ◽  
pp. 1477-1482 ◽  
Author(s):  
Walter J. Balfour ◽  
Hugh M. Cartwright
Keyword(s):  
Excited State ◽  
High Resolution ◽  
Emission Spectrum ◽  
Isotope Effect ◽  
Ground State ◽  
Visible Emission ◽  
Molecular Constants ◽  
Dissociation Energies ◽  
First Time ◽  
Π State

The visible emission spectrum of MgD has been reexamined at high resolution. Published analyses of the A2Π → X2Σ+ system have been extended and the data have been combined with observations in the B′2Σ+ → X2Σ+ system to provide information on the ground state levels ν = 3, 4, 5, and 6 for the first time. The following molecular constants (in cm−1) have been determined—for the A2Π state: ωc = 1154.75, ωcxc = 16.675, Bc = 3.2190, Dc = 9.64 × 10−5 and for the X2Σ+ state: ωc = 1077.71, ωcxc = 15.92, Bc = 3.0306, and Dc = 9.39 × 10−5. The dissociation energies in the A2Π and X2Σ+ states have been estimated to be ~ 15 500 cm−1 and ~ 11 500 cm−1 respectively. The MgH/MgD isotope effect and the Λ doubling in the A2Π state are discussed.

STRUCTURE OF THE BAND SPECTRUM OF CuCl MOLECULE: III. ROTATIONAL STRUCTURE OF THE B AND C SYSTEMS OF Cu65Cl35

1962 ◽  
Vol 40 (4) ◽  
pp. 423-430 ◽  
Author(s):  
P. Ramakoteswara Rao ◽  
R. K. Asundi ◽  
J. K. Brody
Keyword(s):  
High Resolution ◽  
Rotational Structure ◽  
Band Spectrum ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Initial States ◽  
Π State

The B and C band systems of Cu65Cl35 lying in the region 4600–5200 Å have been photographed in emission under high resolution. Rotational analysis of the (1,0), (0,0), and (0,1) bands of each system has been made. The analysis shows that the B and C systems involve transitions 1Π(B1Π)–X1Σ and 1Σ (C1Σ)–X1Σ respectively. Due to the influence of the closeby C1Σ state, the B1Π state shows appreciable Λ-type doubling. It is found that the B1Π and C1Σ states provide an instance closely resembling the case of Van Vleck's "pure precession". The principal molecular constants obtained for the initial states of the B and C systems of Cu65Cl35 are as follows (cm−1 units):[Formula: see text]

High-resolution emission bands of the A2Π – X2Π system of SO+

1984 ◽  
Vol 62 (12) ◽  
pp. 1792-1800 ◽  
Author(s):  
J. L. Hardwick ◽  
Yin Luo ◽  
D. H. Winicur ◽  
J. A. Coxon
Keyword(s):  
High Resolution ◽  
Ground State ◽  
Band System ◽  
Equilibrium Constants ◽  
Molecular Constants ◽  
Visible Band ◽  
Medium Resolution ◽  
Self Consistent ◽  
Measured Line ◽  
Line Positions

The A2Πi → X2Πr visible band system of SO+ has been recorded photographically at high resolution. Molecular constants for the A and X states have been fitted to the measured line positions of the 0–5, 0–6, 1–5, and 1–6 bands. Λ-type doubling was resolved completely for most of the lines of the 2Π1/2 – 2Π1/2 sub-bands, and has led to the first reported values of the splitting constants p′ and p″. All the estimated constants have been merged with constants obtained previously from medium-resolution spectra for other levels of the X2Π ground state. A self-consistent set of constants is reported for ν′ = 0 and 1 and for ν = 4–9, together with revised equilibrium constants.

STRUCTURE OF THE BAND SPECTRUM OF CuCl MOLECULE: IV. ROTATIONAL STRUCTURE OF THE D AND E SYSTEMS OF Cu65Cl35

1962 ◽  
Vol 40 (10) ◽  
pp. 1443-1456 ◽  
Author(s):  
P. Ramakoteswara Rao ◽  
J. K. Brody ◽  
R. K. Asundi
Keyword(s):  
High Resolution ◽  
Rotational Structure ◽  
Band Spectrum ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Initial States ◽  
Π State

The D and E band systems of Cu65Cl35, lying in the region 3900–4700 Å, have been photographed in emission under high resolution and rotational analysis of the (3,1), (2,0), (1,0), (0,0), and (0,1) bands of the D system and the (4,1), (3,0), (2,0), (1,0), (0,0), and (0,1) bands of the E system has been made. It has been assumed in the analysis that the D and E systems involve transitions 1Π (D1Π)−X1Σ and 1Σ (E1Σ)−X1Σ respectively. Fairly large Λ-doubling is observed in the D1Π state. Certain features in the E(0,0) band, which are not well understood, have been pointed out. The principal molecular constants obtained for the initial states of the D and E systems of Cu65Cl35 are as follows (cm−1):[Formula: see text]

Rotational Analysis of the A2Π–X2Σ+ Band System of the BeCl Molecule

1972 ◽  
Vol 50 (2) ◽  
pp. 171-184 ◽  
Author(s):  
R. Colin ◽  
M. Carleer ◽  
F. Prevot
Keyword(s):  
High Resolution ◽  
Microwave Discharge ◽  
Band System ◽  
Opposite Sign ◽  
Electronic Configuration ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Π State

A rotational analysis has been performed on the 0–0, 1–1, 1–0, and 2–1 bands of the A2Π–X2Σ+ band system of the BeCl molecule photographed at high resolution in emission from a microwave discharge. The following principal molecular constants have been obtained.[Formula: see text]Inspection of the low J value lines shows that the A2Π state is a regular state derived from the electronic configuration σ2σ2π4π although the Λ-doubling constants p and q are of opposite sign.

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