Synthesis DFT/TD-DFT theoretical studies and experimental solvatochromic shift methods on determination of ground and excited state dipole moments of 3-(2-hydroxybenzoyl) coumarins

2019 ◽  
Vol 1175 ◽  
pp. 811-820 ◽  
Author(s):  
Nejla Khatir–Hamdi ◽  
Malika Makhloufi-Chebli ◽  
Hocine Grib ◽  
Meziane Brahimi ◽  
Artur M.S. Silva
Keyword(s):  
Excited State ◽  
Dipole Moments ◽  
Theoretical Studies ◽  
Solvatochromic Shift ◽  
Td Dft ◽  
Excited State Dipole Moments

Determination of ground and excited state dipole moments of some naphthols using solvatochromic shift method

2011 ◽  
Vol 163 (3) ◽  
pp. 141-146 ◽  
Author(s):  
R. Gahlaut ◽  
N. Tewari ◽  
J.P. Bridhkoti ◽  
N.K. Joshi ◽  
H.C. Joshi ◽  
...  
Keyword(s):  
Excited State ◽  
Dipole Moments ◽  
Solvatochromic Shift ◽  
Shift Method ◽  
Solvatochromic Shift Method ◽  
Excited State Dipole Moments

Excited State Dipole Moments in Solution: Comparison between State-Specific and Linear-Response TD-DFT Values

2018 ◽  
Vol 14 (3) ◽  
pp. 1544-1553 ◽  
Author(s):  
Ciro Achille Guido ◽  
Benedetta Mennucci ◽  
Giovanni Scalmani ◽  
Denis Jacquemin
Keyword(s):  
Excited State ◽  
Linear Response ◽  
Dipole Moments ◽  
Td Dft ◽  
Excited State Dipole Moments

Experimental Determination of Dipole Moments of Some Benzamide Derivatives

1998 ◽  
Vol 53 (8) ◽  
pp. 684-688
Author(s):  
J. Heidt ◽  
J. R. Heidt ◽  
M. Raciniewskab
Keyword(s):  
Excited State ◽  
Experimental Determination ◽  
Gas Phase ◽  
Electronic Absorption ◽  
Dipole Moments ◽  
Absorption Bands ◽  
Excited State Dipole Moments ◽  
Benzamide Derivatives

Abstract The excited state dipole moments of some benzamide derivatives are determined. The method of solvent induced shifts of electronic absorption bands in comparison with their positions in the gas phase is used. Some regular trends revealed in the obtained data are discussed. The present results are compared with those available in the literature.

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