Absorption and Fluorescence Spectra of Uracil in the Gas Phase and in Aqueous Solution:  A TD-DFT Quantum Mechanical Study

2004 ◽  
Vol 126 (44) ◽  
pp. 14320-14321 ◽  
Author(s):  
Roberto Improta ◽  
Vincenzo Barone
Keyword(s):  
Aqueous Solution ◽  
Gas Phase ◽  
Fluorescence Spectra ◽  
Quantum Mechanical ◽  
Absorption And Fluorescence Spectra ◽  
Mechanical Study ◽  
Td Dft ◽  
Quantum Mechanical Study

Study of absorption spectra of organic light emitting materials (triphenyl derivatives of amine): A quantum mechanical study

2017 ◽  
Vol 3 (01) ◽  
Author(s):  
Jitendra Kumar P. Deshmukh ◽  
Ankur Trivedi ◽  
Deep Kumar ◽  
Devesh Kumar
Keyword(s):  
Absorption Spectra ◽  
Density Functional ◽  
Quantum Mechanical ◽  
Functional Theory ◽  
Light Emitting ◽  
Organic Light ◽  
Mechanical Study ◽  
Td Dft ◽  
Quantum Mechanical Study ◽  
Derivatives Of

Density Functional theory (DFT) is used to study the effect of substituents on the electronic and optical property of organic light emitting material 1,3,5-tris(4’-(1’’- phenyl-benzimidazol-2’’- yl)phenyl) amine (TPBB) and its derivatives (MeO-TPBB, Br-TPBB and Bu-TPBB ). TD – DFT has been used to study the absorption spectra of these molecules. This study suggests that each derivative of TPBB shows a UV – VIS spectra at slightly different frequency.

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