UV absorption spectra of DNA bases in the 350–190 nm range: assignment and state specific analysis of solvation effects

2019 ◽  
Vol 21 (41) ◽  
pp. 22782-22793 ◽  
Author(s):  
Marin Sapunar ◽  
Wolfgang Domcke ◽  
Nađa Došlić
Keyword(s):  
Absorption Spectra ◽  
Electronic Spectra ◽  
Electronic States ◽  
Polyatomic Molecules ◽  
Uv Absorption ◽  
Dna Bases ◽  
Challenging Problem ◽  
Uv Absorption Spectra ◽  
Specific Analysis ◽  
Nm Range

The theoretical assignment of electronic spectra of polyatomic molecules is a challenging problem that requires the specification of the character of a large number of electronic states.

Electronic Spectra and Conformations of Some Heterocyclic Derivatives of 5H-Dibenzo(a,d)cycloheptene

1974 ◽  
Vol 29 (9) ◽  
pp. 1371-1376 ◽  
Author(s):  
T. Tóth ◽  
L. Klasinc
Keyword(s):  
Absorption Spectra ◽  
Electronic Spectra ◽  
Spectral Characteristics ◽  
Uv Absorption ◽  
Electronic Transitions ◽  
Uv Absorption Spectra ◽  
Heterocyclic Derivatives ◽  
Derivatives Of ◽  
Lcao Mo

The electronic transitions in 5H-dibenzo (a,d)-cycloheptene (1), 5H-dibenz(b,f)azepine (2), dibenz( b,f)oxepine (3), 5-dibenzo(a,d)cyclohepten-5-one (4), dibenzo(b,f)thiepine (5) and dibenzo (b,f) selenepine (6) have been calculated by the SCF LCAO MO CI method for model conformations and compared with experimental uv absorption spectra. The spectral characteristics and conformations of the title compounds and their relationship to cis-stilbene and o-substituted cis-stilbenes are discussed.

Simulation of UV Absorption Spectra and Relaxation Dynamics of Uracil and Uracil-Water Clusters

2020 ◽  
Author(s):  
Branislav Milovanović ◽  
Jurica Novak ◽  
Mihajlo Etinski ◽  
Wolfgang Domcke ◽  
Nadja Doslic
Keyword(s):  
Aqueous Solution ◽  
Gas Phase ◽  
Absorption Spectra ◽  
Absorption Spectroscopy ◽  
Water Clusters ◽  
Uv Absorption ◽  
Relaxation Dynamics ◽  
Nonradiative Relaxation ◽  
Uv Absorption Spectra ◽  
Uv Absorption Spectroscopy

Despite many studies, the mechanisms of nonradiative relaxation of uracil in the gas phase and in aqueous solution are still not fully resolved. Here we combine theoretical UV absorption spectroscopy...

scholarly journals UV-Absorption Spectra of Complexes Between Some Disulfides and Iodine. I.

1969 ◽  
Vol 23 ◽  
pp. 2127-2135 ◽  
Author(s):  
Bengt Nelander ◽  
G. Hagen ◽  
Seija Vesala ◽  
Tarja Aalto ◽  
Per-Erik Werner ◽  
...  
Keyword(s):  
Absorption Spectra ◽  
Uv Absorption ◽  
Uv Absorption Spectra

UV and IR Spectral Characteristics of Chloramben in Selected Environments

Weed Science ◽  
1976 ◽  
Vol 24 (1) ◽  
pp. 107-114 ◽  
Author(s):  
V. E. Berkheiser ◽  
J. L. Ahlrichs
Keyword(s):  
Ir Spectra ◽  
Water Content ◽  
Absorption Spectra ◽  
Spectral Characteristics ◽  
Uv Absorption ◽  
Hydration Water ◽  
Carboxyl Group ◽  
Amino Group ◽  
Acid Base ◽  
Uv Absorption Spectra

Ultraviolet (UV) absorption spectra were recorded of chloramben (3-amino-2,5-dichlorobenzoic acid) and selected relatives in solutions of different pH's. From these spectra, the Broensted acid-base properties of chloramben were deduced. Interpretations of solution spectra were applied to UV absorption spectra of chloramben adsorbed onto Ca-montmorillonite at low water content. Infrared (IR) transmittance spectra were recorded of chloramben and selected derivatives in KBr pellets and band assignments were made. Interpretations of these spectra were also applied to IR spectra of chloramben adsorbed onto Ca-montmorillonite at low water content. Both UV and IR measurements indicated that protonation of the amino group occurs and that the carboxyl group of chloramben is strongly hydrogen-bonded to the hydration water of the interlayer cations.

UV absorption spectra of vibrationally highly excited toluene molecules

1983 ◽  
Vol 78 (9) ◽  
pp. 5351-5357 ◽  
Author(s):  
H. Hippler ◽  
J. Troe ◽  
H. J. Wendelken
Keyword(s):  
Absorption Spectra ◽  
Uv Absorption ◽  
Uv Absorption Spectra

Synthesis and Characterization of Reactive Michler's Ketones

2013 ◽  
Vol 818 ◽  
pp. 54-57
Author(s):  
Qing Hua Huang ◽  
Xiao Qing Dou ◽  
Xiong Xiong Bai ◽  
Zhong Yu Hu ◽  
Chuan Jie Cheng
Keyword(s):  
Absorption Spectra ◽  
Uv Absorption ◽  
Synthesis And Characterization ◽  
Uv Absorption Spectra

Two novel reactive Michlers ketones were designed and easily synthesized in moderate yields. UV-absorption spectra showed that the reactive Michlers ketones absorbed light more efficiently than their bromide reactants. In practice, the Michlers ketones can act as both a photoinitiator and a co-photoinitiator to produce UV-cured cardanol resin in the absence of any other photoinitiators and co-photoinitiators.

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