Rotational analysis of emission bands of the A2Πi–X2Πi system of 35ClO

1976 ◽  
Vol 54 (10) ◽  
pp. 1043-1052 ◽  
Author(s):  
J. A. Coxon ◽  
W. E. Jones ◽  
E. G. Skolnik
Keyword(s):  
Absorption Spectrum ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Rotational Analysis ◽  
Internuclear Separation ◽  
Molecular Constants

Five bands of the 0–ν″ progression (5 ≤ ν″ ≤ 9) of the A2Πi–X2Πi system of 35ClO have been rotationally analysed. The results have been combined with data from the absorption spectrum of ClO, and new molecular constants are reported. The variation of spin–orbit coupling with internuclear separation has been determined for both states.

Electronic Spectrum of the N80Se Molecule in the Region 2840–3200 Å

1971 ◽  
Vol 49 (15) ◽  
pp. 2033-2051 ◽  
Author(s):  
L. Harding ◽  
W. E. Jones ◽  
K. K. Yee ◽  
A. Jenouvrier ◽  
D. Daumont ◽  
...  
Keyword(s):  
Electronic Spectrum ◽  
Ground State ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Rotational Analysis ◽  
Coupling Constant ◽  
Molecular Constants ◽  
First Time

The vibrational and rotational analysis of 12 red degraded bands of N80Se, in the region 2800 to 3200 Å, is reported. These bands are attributed to two progressions, ν′ = 1 and ν′ = 2, of the subsystem C2Δ5/2–X2Π3/2 and to two progressions, ν′ = 0, of the system B2Σ–X2Π(a).Tables of molecular constants of the observed states are given. For the first time it has been possible to calculate the spin–orbit coupling constant, Aeff, of the ground state, X2Π(a).

Rotational analysis of hydroxyl vibration–rotation emission bands: Molecular constants for OH X2Π, 6 ≤ ν ≤ 10

1982 ◽  
Vol 60 (1) ◽  
pp. 41-48 ◽  
Author(s):  
J. A. Coxon ◽  
S. C. Foster
Keyword(s):  
Hydroxyl Radical ◽  
Least Squares ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Rotational Analysis ◽  
Coupling Constant ◽  
Molecular Constants ◽  
Vibration Rotation ◽  
Measured Line

Seven vibration–rotation emission bands of the hydroxyl radical with 6 ≤ ν′ ≤10 have been recorded photoelectrically in the range λ6250–8500 Å. The first reliable constants for levels 6 ≤ ν ≤10 of OH X2Π are obtained by direct least-squares fitting of the measured line frequencies. The vibrational dependences of the Λ-doubling parameters (p and q) and the spin–orbit coupling constant (A) are well defined. A minimum value of Aν is found at ν = 7.

First rotational analysis of the A2Π-X2Π system of the P35Cl+ cation

1987 ◽  
Vol 65 (5) ◽  
pp. 980-983 ◽  
Author(s):  
John A. Coxon ◽  
Stavros Naxakis ◽  
Utpal K. Roychowdhury
Keyword(s):  
Least Squares ◽  
Band System ◽  
Coupling Constants ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Rotational Analysis ◽  
Entire Data

The visible A2Π → X2Π band system of PCl+ has been recorded photoelectrically with a resolution of 0.006 nm. Fourteen 2Π1/2–2Π1/2 and six 2Π3/2–2Π3/2 sub-bands of P35Cl+ in the ν′ = 0 and 1 progressions with 10 ≤ ν″ ≤ 20 have been rotationally analysed. The measured positions of 1214 lines have been fitted directly by least squares to obtain a set of reliable constants for the two states that reproduce the entire data. These constants include the first estimated spin–orbit coupling constants for both states. The reliability of these estimates is discussed. The equilibrium internuclear separations are re(X) = 0.1900 and re(A) = 0.2334 nm.

Electron resonance of SO ( 3 Ʃ ) in the gas phase

1967 ◽  
Vol 298 (1454) ◽  
pp. 340-358 ◽  
Keyword(s):  
Coupling Constants ◽  
Orbit Coupling ◽  
Spin Coupling ◽  
Zero Field ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Constant ◽  
Molecular Constants ◽  
Excited Vibrational State ◽  
Electron Resonance

The electron resonance spectrum of SO has been previously shown to arise from SO in two electronic states, the ground 3 Ʃ - and the excited 1 ∆ state. In this paper the portion of the spectrum assigned to the 3 Ʃ - state is analysed and shown to arise from three isotopic species, 32 S 16 O, 33 S 16 O, and 34 S 16 O. The analysis shows that besides the dominant interaction of the unpaired electronic spins with the magnetic field; other interactions must be taken into account to interpret the spectrum accurately. Interactions with electronic orbital angular momentum of π states mixed in by spin-orbit coupling and with rotationally induced magnetic moments have been observed. Values for parameters measuring such interactions have been determined from the spectrum, and these values lead to a resolution of the first- and second-order contributions to the zero-field molecular constants as well as an approximate value for the spin-orbit coupling constant. The hyperftne structure resulting from 33 S in 33 S 16 O has also been observed and is related to the usual hyperfine coupling constants. The expected line strengths and widths for SO have been calculated and these are compared with the observed quantities. Besides the expected lines from the isotopic SO species in the 3 Ʃ - state, several other lines have been detected. These lines are interpreted as arising from 32 S 16 O in the ground electronic state, but in the first excited vibrational level. The spectrum of vibrationally excited SO allows a value of the spin-spin coupling constant in the first excited vibrational state to be determined.

Rotational Analysis of the PH and PD A3Πi–X3Σ− Band Systems

1974 ◽  
Vol 52 (14) ◽  
pp. 1274-1287 ◽  
Author(s):  
J. Rostas ◽  
D. Cossart ◽  
J. R. Bastien
Keyword(s):  
Fine Structure ◽  
High Resolution ◽  
Simple Model ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Rotational Analysis ◽  
Centrifugal Distortion ◽  
Coupling Parameters ◽  
Spin Orbit Interactions

PH and PD radicals have been produced in a Schüler type discharge through PH3 and PD3. Besides the already known (0–0) bands of PH and PD, new bands, namely the (0–1) band of PH and the (1–0) and (1–1) bands of PD have been photographed in emission, under high resolution. Rotational analyses have been performed for these six bands and also for the (1–0) band of PH analyzed earlier by Legay in absorption. The 3Π and 3Σ states fine structure has been interpreted by a simple model, which includes spin–spin, and second-order spin–orbit interactions and also centrifugal distortion effects both on rotational and spin–orbit coupling parameters. The ν dependence of the different molecular parameters has been examined and interpreted where possible.

scholarly journals Capturing the interplay between spin–orbit coupling and non-Condon effects on the photoabsorption spectra of Ru and Os dyes

2019 ◽  
Vol 7 (22) ◽  
pp. 6564-6570
Author(s):  
Theo Keane ◽  
Thomas W. Rees ◽  
Etienne Baranoff ◽  
Basile F. E. Curchod
Keyword(s):  
Absorption Spectrum ◽  
Low Energy ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Osmium Complexes ◽  
Low Energy Tail

A theoretical protocol developed to study the low-energy tail of the absorption spectrum of homoleptic biscyclometalated ruthenium and osmium complexes.

The optical absorption spectrum of the octahedral RhCl63− complex: Ab initio calculations of excitation energies and the effect of spin-orbit coupling

1998 ◽  
Vol 109 (8) ◽  
pp. 3145-3152 ◽  
Author(s):  
Carl Ribbing ◽  
Ben Gilliams ◽  
Kristine Pierloot ◽  
Björn O. Roos ◽  
Gunnar Karlström
Keyword(s):  
Absorption Spectrum ◽  
Optical Absorption ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Optical Absorption Spectrum ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Excitation Energies

Spin-orbit coupling in the D1Pi d3Pi complex of 23Na39K

1999 ◽  
Vol 96 (6) ◽  
pp. 955-961 ◽  
Author(s):  
E. A. PAZYUK
Keyword(s):  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit

THE ROLE OF SPIN-ORBIT COUPLING AND HYPERFINE COUPLING IN OPTICAL PUMPING OF F-CENTRES

1976 ◽  
Vol 37 (C7) ◽  
pp. C7-104-C7-104
Author(s):  
K. E. MAUSER ◽  
B. NIESERT ◽  
A. WINNACKER
Keyword(s):  
Hyperfine Coupling ◽  
Optical Pumping ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit

THRESHOLD IONIZATION AND SPIN-ORBIT COUPLING OF CERIUM MONOXIDE

2017 ◽  
Author(s):  
Wenjin Cao ◽  
Dong-Sheng Yang ◽  
Lu Wu ◽  
Yuchen Zhang
Keyword(s):  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Threshold Ionization
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