scholarly journals Simulation of Ab Initio Optical Absorption Spectrum of β-Carotene with Fully Resolved S0 and S2 Vibrational Normal Modes

2022 ◽  
Author(s):  
Mantas Jakučionis ◽  
Ignas Gaižiu̅nas ◽  
Juozas Šulskus ◽  
Darius Abramavičius
Keyword(s):  
Absorption Spectrum ◽  
Optical Absorption ◽  
Ab Initio ◽  
Optical Absorption Spectrum ◽  
Normal Modes ◽  
Β Carotene

Article

1998 ◽  
Vol 76 (4) ◽  
pp. 411-413
Author(s):  
Yixing Zhao ◽  
Gordon R Freeman
Keyword(s):  
Absorption Spectrum ◽  
Optical Absorption ◽  
Temperature Dependence ◽  
Optical Absorption Spectrum ◽  
Infrared Light ◽  
Solvated Electron ◽  
Solvated Electrons ◽  
Tert Butanol ◽  
Solvent Dependence ◽  
Increasing Temperature

The energy and asymmetry of the optical absorption spectrum of solvated electrons, es- , change in a nonlinear fashion on changing the solvent through the series HOH, CH3OH, CH3CH3OH, (CH3)2CHOH, (CH3)3COH. The ultimate, quantum-statistical mechanical, interpretation of solvated electron spectra is needed to describe the solvent dependence. The previously reported optical spectrum of es- in tert-butanol was somewhat inaccurate, due to a small amount of water in the alcohol and to limitations of the infrared light detector. The present note records the remeasured spectrum and its temperature dependence. The value of the energy at the absorption maximum (EAmax) is 155 zJ (0.97 eV) at 299 K and 112 zJ (0.70 eV) at 338 K; the corresponding values of G epsilon max (10-22 m2 aJ-1) are 1.06 and 0.74. These unusually large changes are attributed to the abnormally rapid decrease of dielectric permittivity of tert-butanol with increasing temperature. The band asymmetry at 299 K is Wb/Wr = 1.8.Key words: optical absorption spectrum, solvated electron, solvent effects, tert-butanol, temperature dependence.

scholarly journals Monitoring mechanical motion of carbon nanotube based nanomotor by optical absorption spectrum

2016 ◽  
Vol 109 (26) ◽  
pp. 263104 ◽  
Author(s):  
Baomin Wang ◽  
Xuewei Cao ◽  
Zhan Wang ◽  
Yong Wang ◽  
Kaihui Liu
Keyword(s):  
Absorption Spectrum ◽  
Carbon Nanotube ◽  
Optical Absorption ◽  
Optical Absorption Spectrum ◽  
Mechanical Motion

Is there any Correlation between the Mobility and the Absorption Spectra of Solvated Electrons in Polar Solvents?

2000 ◽  
Vol 214 (10) ◽  
Author(s):  
P. Krebs
Keyword(s):  
Absorption Spectrum ◽  
Optical Absorption ◽  
Absorption Spectra ◽  
Optical Absorption Spectrum ◽  
Chem Phys ◽  
Solvated Electrons ◽  
Polar Solvents ◽  
Excess Electrons

Some years ago Jay-Gerin and Ferradini attempted to establish a correlation between the optical absorption spectrum and the mobility of excess electrons in various polar solvents (J. Chem. Phys.

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