Theoretical investigation of absorption spectra from excited states of psoralens

2006 ◽  
Author(s):  
N. G. Bryantseva ◽  
I. V. Sokolova
Keyword(s):  
Absorption Spectra ◽  
Excited States ◽  
Theoretical Investigation

Electronic absorption, fluorescence and polarisation spectra of α,β-diamino-9,10-anthraquinones and their interpretation by the method of configuration analysis

1982 ◽  
Vol 47 (10) ◽  
pp. 2604-2614 ◽  
Author(s):  
Miloš Nepraš ◽  
Miloš Titz ◽  
Jürgen Fabian ◽  
Bohuslav Gaš
Keyword(s):  
Polyvinyl Alcohol ◽  
Absorption Spectra ◽  
Excited States ◽  
Wavelength Range ◽  
Electronic Absorption ◽  
Frequency Dependent ◽  
Absorption Frequency

On the basis of measurement of absorption frequency-dependent polarisation spectra of fluorescence (APF) and dichroism on oriented polyvinyl alcohol sheets, interpretation has been carried out of absorption spectra of α,β-diamino-9,10-anthraquinones in the wavelength range 250 to 600 nm. Character of the excited states has been investigated by the method of configuration analysis (PPP-CA).

OPTICAL ABSORPTION SPECTRA OF ARSENIC AND PHOSPHORUS IN SILICON

1962 ◽  
Vol 40 (10) ◽  
pp. 1480-1489 ◽  
Author(s):  
J. W. Bichard ◽  
J. C. Giles
Keyword(s):  
Optical Absorption ◽  
Absorption Spectra ◽  
Excited States ◽  
Ground State ◽  
Absorption Lines ◽  
Full Width ◽  
Optical Absorption Spectra ◽  
Phosphorus Impurity ◽  
Line Widths ◽  
Phosphorus In Silicon

The optical absorption spectra of arsenic and phosphorus donor impurities in silicon have been studied under conditions of improved resolution. Absorption lines due to transitions from the impurity ground state to the excited states 2p0, 2p±, 3p0, 3p±, 4p0, 4 p±, and 5p0, and 5p± have been observed at 4.2° K. The relative intensities of some of these absorption lines are compared with existing experimental and theoretical estimates. The contribution of instrumental broadening to the observed line widths is assessed and natural line widths are estimated. The estimates indicate values for the natural line widths which are much less than those previously reported. For phosphorus impurity, the natural line widths are estimated to be less than 0.08 × 10−3 electron volts full width at half-maximum. The possibility of concentration broadening is discussed in connection with the arsenic data.

scholarly journals Excited-states of a rhenium carbonyl diimine complex: solvation models, spin–orbit coupling, and vibrational sampling effects

2017 ◽  
Vol 19 (40) ◽  
pp. 27240-27250 ◽  
Author(s):  
Sebastian Mai ◽  
Hugo Gattuso ◽  
Maria Fumanal ◽  
Aurora Muñoz-Losa ◽  
Antonio Monari ◽  
...  
Keyword(s):  
Absorption Spectra ◽  
Excited States ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Implicit Solvation ◽  
Td Dft ◽  
Rhenium Carbonyl ◽  
Solvation Models ◽  
P Absorption

Absorption spectra of [Re(CO)3(imidazole)(phenanthroline)]+ were computed using TD-DFT with QM/MM, frozen-density embedding, and implicit solvation models.

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