On the electronic structure and spectroscopic properties of a pseudo-tetrahedral cationic cobalt(ii) tetraamine complex ? ([35]adamanzane)cobalt(ii)Electronic supplementary information (ESI) available: Table S1: Cartesian coordinates of the DFT optimized geometry of the [Co([35]adz)]2+ ion. Table S2: Results of experimental and calculated infrared absorption spectra for the [Co([35]adz)]2+ ion. See http://www.rsc.org/suppdata/dt/b3/b305712g/

2003 ◽  
pp. 3199 ◽  
Author(s):  
Peter W. Thulstrup ◽  
Louise Broge ◽  
Erik Larsen ◽  
Johan Springborg
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
Infrared Absorption ◽  
Spectroscopic Properties ◽  
Supplementary Information ◽  
Cartesian Coordinates ◽  
Electronic Supplementary Information ◽  
Infrared Absorption Spectra

Electronic Structure of Deep-Lying Sulfur Centers in Si

1985 ◽  
Vol 46 ◽  
Author(s):  
H. J. Zeiger ◽  
W. H. Kleiner
Keyword(s):  
Electronic Structure ◽  
Theoretical Analysis ◽  
Absorption Spectra ◽  
Infrared Absorption ◽  
Ground State ◽  
Uniaxial Stress ◽  
Binding Energies ◽  
Selection Rules ◽  
Infrared Absorption Spectra ◽  
Absorption Frequencies

AbstractA theoretical analysis has been made of infrared absorption spectra measured earlier for four deep-lying sulfur centers in Si. The data consist of absorption frequencies and polarization selection rules determined for uniaxial stress applied along [001], [111], and [110] axes. Both ls + np transitions and ls → ls transitions are observed. The A and B centers (binding energies 0.1090 eV and 0.1872 eV, respectively) are found to be He-like, while the C and D centers (binding energies 0.3683 eV and 0.6116 eV, respectively) are found to be He+-like. The D center spectra are consistent with Td symmetry, while the A, B and C spectra are consistent in most respects with C3v or D3d symmetry. One noteworthy result is the finding that the ls + np spectral frequencies observed under stress for the A center are consistent with a ls(E) ground state.

Infrared Absorption Spectra of Chromate Ions in RbCl Single Crystals

1986 ◽  
Vol 21 (1) ◽  
pp. K10-K12 ◽  
Author(s):  
A. A. Alybakov ◽  
R. T. Aitmatova ◽  
Sh. Akchalov ◽  
N. Toichiev
Keyword(s):  
Single Crystals ◽  
Absorption Spectra ◽  
Infrared Absorption ◽  
Chromate Ions ◽  
Infrared Absorption Spectra
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