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.

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.

Self-consistent fields without exchange for Pr3+ and Tm3+

1960 ◽  
Vol 56 (1) ◽  
pp. 41-54 ◽  
Author(s):  
E. Cicely Ridley
Keyword(s):  
Ground State ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Constant ◽  
Self Consistent

ABSTRACTSelf-consistent fields without exchange have been calculated for the ground state of Pr3+ and Tm3+. The spin-orbit coupling constant ζ(4f) is found to have the values 785 and 2742 cm−1 in Pr3+ and Tm3+, respectively. The corresponding values of are 29·4 and 77·5 Å−3. Values of the Slater integrals F2(4f, 4f), F4(4f, 4f) and F6(4f, 4f) are also given for each structure.

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.

Ground configuration splitting in UCl5

1977 ◽  
Vol 55 (10) ◽  
pp. 937-942 ◽  
Author(s):  
A. F. Leung ◽  
Ying-Ming Poon
Keyword(s):  
Crystal Field ◽  
Energy Levels ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Constant ◽  
Point Charge Model ◽  
X Ray Crystallography ◽  
Charge Model ◽  
Crystal Field Parameters

The absorption spectra of UCl5 single crystal were observed in the region between 0.6 and 2.4 μm at room, 77, and 4.2 K temperatures. Five pure electronic transitions were assigned at 11 665, 9772, 8950, 6643, and 4300 cm−1. The energy levels associated with these transitions were identified as the splittings of the 5f1 ground configuration under the influence of the spin–orbit coupling and a crystal field of C2v symmetry. The number of crystal field parameters was reduced by assuming the point-charge model where the positions of the ions were determined by X-ray crystallography. Then, the crystal field parameters and the spin–orbit coupling constant were calculated to be [Formula: see text],[Formula: see text], [Formula: see text], and ξ = 1760 cm−1. The vibronic analysis showed that the 90, 200, and 320 cm−1 modes were similar to the T2u(v6), T1u(v4), and T1u(v3) of an UCl6− octahedron, respectively.

Magnetic Susceptibilities of 2T2 Ions. Part 1

1972 ◽  
Vol 50 (10) ◽  
pp. 1468-1471 ◽  
Author(s):  
Alan D. Westland
Keyword(s):  
Magnetic Susceptibility ◽  
Excited State ◽  
Reduction Factor ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Constant ◽  
Magnetic Susceptibilities

An expression for the magnetic susceptibility of octahedral d1 complexes is derived exactly in terms of an orbital reduction factor k taking into account the presence of the formal 2E excited state. Sample calculations show that the improved expression gives results for susceptibility which are lower at times by several percent from those given by previous expressions. The results given by Figgis using Kotani's method are adequately precise when the spin–orbit coupling constant is no larger than ~0.1 Dq.

scholarly journals Optimized production of ultracold ground-state molecules: Stabilization employing potentials with ion-pair character and strong spin-orbit coupling

2012 ◽  
Vol 86 (4) ◽  
Author(s):  
Michał Tomza ◽  
Michael H. Goerz ◽  
Monika Musiał ◽  
Robert Moszynski ◽  
Christiane P. Koch
Keyword(s):  
Ground State ◽  
Ion Pair ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Strong Spin

scholarly journals Pauli metallic ground state in Hubbard clusters with Rashba spin-orbit coupling

2018 ◽  
Vol 97 (12) ◽  
Author(s):  
Valentina Brosco ◽  
Daniele Guerci ◽  
Massimo Capone
Keyword(s):  
Ground State ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Rashba Spin
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