scholarly journals About the origin of the large Stokes shift in aminoalkyl substituted heptamethine cyanine dyes

2020 ◽  
Vol 22 (1) ◽  
pp. 129-135 ◽  
Author(s):  
Cristina Sissa ◽  
Anna Painelli ◽  
Francesca Terenziani ◽  
Massimo Trotta ◽  
Roberta Ragni
Keyword(s):  
Excited State ◽  
Ground State ◽  
Stokes Shift ◽  
Cyanine Dyes ◽  
Ground State Structure ◽  
State Structure ◽  
Large Stokes Shift

Aminoalkyl substituted heptamethine cyanines show a large Stokes shift, ascribed to the geometry relaxation upon photoexcitation that drives the molecule from a distorted ground state structure to a planar and cyanine-like excited state.

Electronic Absorption and Ground State Structure of Carotenoid Molecules

2013 ◽  
Vol 117 (38) ◽  
pp. 11015-11021 ◽  
Author(s):  
Maria M. Mendes-Pinto ◽  
Elodie Sansiaume ◽  
Hideki Hashimoto ◽  
Andrew A. Pascal ◽  
Andrew Gall ◽  
...  
Keyword(s):  
Electronic Absorption ◽  
Ground State ◽  
Ground State Structure ◽  
State Structure

scholarly journals Studies on Photophysical Properties of Mono-carbonyl Curcumin Analogues: Experimental and Theoretical approach

2018 ◽  
Vol 34 (4) ◽  
pp. 2170-2179
Author(s):  
Manjula Rayanal ◽  
Prasad Pralhad Pujar ◽  
Sridhar D
Keyword(s):  
Excited State ◽  
Ground State ◽  
Dipole Moments ◽  
Photophysical Properties ◽  
Stokes Shift ◽  
Solvent Polarity ◽  
Frontier Molecular Orbital ◽  
Curcumin Analogues ◽  
Td Dft ◽  
Ground State Dipole Moments

The solvatochromic fluorescence behaviour of mono-carbonyl curcumin analogues has been studied in ten different solvents ranging from non-polar to polar. The solvent effect on the spectral properties of analogues has been discussed. The ground state dipole moments were estimated experimentally by Bilot-Kawski equation which is a function of Stokes shift with the solvent polarity parameters and Guggenheim method and theoretically by TD-DFT studies. The excited state dipole moment was determined using Bilot-Kawski equations. The excited state dipole moments for the two molecules were found to be higher than their corresponding ground state dipole moments. Theoretically Frontier molecular orbital (HOMO/ LUMO) energies were determined by Gaussian 09 W software using TD-DFT.

scholarly journals FIELD DECOMPOSITION AND THE GROUND STATE STRUCTURE OF SU(2) YANG–MILLS THEORY

2002 ◽  
Vol 17 (25) ◽  
pp. 3681-3688 ◽  
Author(s):  
LISA FREYHULT
Keyword(s):  
Effective Potential ◽  
Ground State ◽  
Scalar Fields ◽  
Background Field ◽  
Field Method ◽  
Gauge Fields ◽  
Ground State Structure ◽  
State Structure ◽  
Yang Mills ◽  
Background Field Method

We compute the effective potential of SU(2) Yang–Mills theory using the background field method and the Faddeev–Niemi decomposition of the gauge fields. In particular, we find that the potential will depend on the values of two scalar fields in the decomposition and that its structure will give rise to a symmetry breaking.

Theoretical Study on the Ground State Structure of Uranofullerene U@C82

2012 ◽  
Vol 116 (47) ◽  
pp. 11651-11655 ◽  
Author(s):  
Xin Liu ◽  
Lin Li ◽  
Bo Liu ◽  
Dongqi Wang ◽  
Yuliang Zhao ◽  
...  
Keyword(s):  
Ground State ◽  
Theoretical Study ◽  
Ground State Structure ◽  
State Structure
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