Multiphoton ionisation spectroscopy of ethyl iodide and deuteriated ethyl iodide in the region of the 6s Rydberg transitions. Evidence of molecular field splitting of spin–orbit degenerate states

1995 ◽  
Vol 91 (18) ◽  
pp. 3083-3088 ◽  
Author(s):  
Eoin Lane ◽  
Paul Brint ◽  
Mary Tziraki ◽  
Stelios Couris
Keyword(s):  
Ethyl Iodide ◽  
Molecular Field ◽  
Spin Orbit ◽  
Field Splitting ◽  
Degenerate States ◽  
Rydberg Transitions

High-resolution gas phase P L-edge photoabsorption spectra of PF5

2007 ◽  
Vol 85 (10) ◽  
pp. 690-694 ◽  
Author(s):  
Y F Hu ◽  
L Zuin ◽  
R Püttner
Keyword(s):  
High Resolution ◽  
Gas Phase ◽  
Rydberg State ◽  
Rydberg States ◽  
Ligand Field ◽  
Spin Orbit ◽  
Field Splitting ◽  
Vibrational Progression ◽  
Rydberg Transitions ◽  
Franck Condon

High-resolution photoabsorption spectra of P 2s and 2p levels of PF5 are reported. Fine structure, due to spin-orbit and ligand field splittings together with strong vibrational progression, is resolved in the Rydberg region of the P 2p spectrum. A ligand field splitting of 31 meV for the 2p3/2 orbital is obtained from the fit of the Rydberg transitions. The Franck–Condon fit analysis revealed that the vibrational progression of the higher Rydberg states is different from that of the valence-Rydberg mixed 4s state. In particular, we derived a decrease in P–F bond distances of 12 and 28 pm for the 4s valence-Rydberg mixed state and the high nl Rydberg states, respectively. The natural linewidths of the P 2p levels were determined to be 55 meV.Key words: PF5, Rydberg state, vibrational, ligand field splitting, photoabsorption.

Determination of the spin orbit coupling and crystal field splitting in wurtzite InP by polarization resolved photoluminescence

2018 ◽  
Vol 112 (7) ◽  
pp. 071903 ◽  
Author(s):  
Nicolas Chauvin ◽  
Amaury Mavel ◽  
Ali Jaffal ◽  
Gilles Patriarche ◽  
Michel Gendry
Keyword(s):  
Crystal Field ◽  
Orbit Coupling ◽  
Crystal Field Splitting ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Field Splitting

Zur paramagnetischen Elektronenresonanz metallorganischer Sandwich-Verbindungen, Teil I / The magnetic resonance properties of some sandwich compounds, part i

1972 ◽  
Vol 27 (7) ◽  
pp. 1082-1093
Author(s):  
R Krieger ◽  
J Voitländer
Keyword(s):  
Zero Field ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Degenerate Ground State ◽  
Resonance Properties ◽  
Rhombic Distortion ◽  
Combined Action ◽  
Low Symmetry

AbstractThe zero-field splitting and g-values of manganocene and chromocene have been calculated. The wave functions were obtained by means of a self-consistent charge extended Huckel method. The calculated values g||=2.0034 and g⊥ = 2.0033 of manganocene agree fairly well with the experi­mental results obtained from ESR measurements. The very large computed zero-field splitting D= -0.24 cm-1 explains that there has been observed only one ESR transition though mangano­cene is in a spin-5/2 state. For chromocene no ESR transition has been found until now. We therefore studied the splitting of the orbitally degenerate ground state by the combined action of spin-orbit coupling and low-symmetry perturbation. The predicted splitting is strongly dependent on the magnitude of the rhombic distortion compared to the spin-orbit interaction. The g-values are highly anisotropic, with g|| =2.49 and g⊥ =1.97

An ab initio MO study of heavy atom effects on the zero-field splitting tensors of high-spin nitrenes: how the spin–orbit contributions are affected

2014 ◽  
Vol 16 (19) ◽  
pp. 9171-9181 ◽  
Author(s):  
Kenji Sugisaki ◽  
Kazuo Toyota ◽  
Kazunobu Sato ◽  
Daisuke Shiomi ◽  
Masahiro Kitagawa ◽  
...  
Keyword(s):  
Ab Initio ◽  
High Spin ◽  
Heavy Atom ◽  
Zero Field ◽  
Spin Orbit ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Ab Initio Mo

The CASSCF and hybrid CASSCF–MRMP2 methods reproduce the ZFS tensors of spin-septet 2,4,6-trinitrenopyridines, focusing on the heavy atom effects on the spin–orbit terms of the tensors.

Ab initio and DFT studies of the spin–orbit and spin–spin contributions to the zero-field splitting tensors of triplet nitrenes with aryl scaffolds

2011 ◽  
Vol 13 (15) ◽  
pp. 6970 ◽  
Author(s):  
Kenji Sugisaki ◽  
Kazuo Toyota ◽  
Kazunobu Sato ◽  
Daisuke Shiomi ◽  
Masahiro Kitagawa ◽  
...  
Keyword(s):  
Ab Initio ◽  
Zero Field ◽  
Spin Orbit ◽  
Dft Studies ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Ab Initio And Dft
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