A Theoretical Study of Brominated Porphycenes: Electronic Spectra and Intersystem Spin−Orbit Coupling

2010 ◽  
Vol 6 (10) ◽  
pp. 3176-3189 ◽  
Author(s):  
Angelo Domenico Quartarolo ◽  
Sandro Giuseppe Chiodo ◽  
Nino Russo
Keyword(s):  
Electronic Spectra ◽  
Theoretical Study ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit

Laser cooling of copper monofluoride: a theoretical study including spin–orbit coupling

RSC Advances ◽  
2016 ◽  
Vol 6 (102) ◽  
pp. 100568-100576 ◽  
Author(s):  
Mingkai Fu ◽  
Jianwei Cao ◽  
Haitao Ma ◽  
Wensheng Bian
Keyword(s):  
Laser Cooling ◽  
Theoretical Study ◽  
Branching Ratios ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Effects ◽  
Radiative Lifetimes

A laser cooling scheme is proposed for CuF by including the spin–orbit coupling effects, and based on our calculated radiative lifetimes and vibrational branching ratios.

Electronic spectra and intersystem spin-orbit coupling in 1,2- and 1,3-squaraines

2014 ◽  
Vol 35 (29) ◽  
pp. 2107-2113 ◽  
Author(s):  
Marta E. Alberto ◽  
Gloria Mazzone ◽  
Angelo D. Quartarolo ◽  
Flavio Fortes Ramos Sousa ◽  
Emilia Sicilia ◽  
...  
Keyword(s):  
Electronic Spectra ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit

Theoretical Study on the Spectroscopic Parameters and Transition Properties of MgH Radical Including Spin-orbit Coupling

2016 ◽  
Vol 33 (6) ◽  
pp. 063102 ◽  
Author(s):  
Dong-Lan Wu ◽  
Bin Tan ◽  
Xue-Feng Zeng ◽  
Hui-Jun Wan ◽  
An-Dong Xie ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Spectroscopic Parameters

A theoretical study of the 14N and 17O N.M.R. shifts in lanthanide complexes

1972 ◽  
Vol 25 (12) ◽  
pp. 2577 ◽  
Author(s):  
RM Golding ◽  
MP Halton
Keyword(s):  
Hyperfine Interaction ◽  
Lanthanide Complexes ◽  
Theoretical Study ◽  
Second Order ◽  
Orbit Coupling ◽  
Order Perturbation ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Lanthanide Ion ◽  
Isotropic Hyperfine Interaction

The experimental 14N and 17O n.m.r, results in a series of lanthanide complexes are successfully interpreted from a second-order perturbation treatment of the calculation of (S2), where bonding effects and spin-orbit coupling mixing are incorporated. The isotropic hyperfine interaction constants are shown to be negative for 14N and positive for 17O but both independent of the particular lanthanide ion. We also confirm that the 4f orbitals are not involved in direct bonding with the ligands.

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