30 research outputs found
Studies on spectral variation of 2AAQ with solvent properties
No full text18-26In order to
understand the nature and extent of solute-solvent interactions, the spectral
variations of 2-amino-9,
10-anthraquinone (2AAQ) molecule are analyzed by using the linear solvation
energy relationship (LSER) concept formulated by Katritzky et al15.
The independent contributions of general and specific solute-solvent interactions
have been calculated using multiple linear regression analysis method. The
strength of the dipolarity and polarizability interaction is more than the
specific solute-solvent interactions. Further, the solvation studies in
cyclohexane (CHX) - ethyl acetate (EA) and ethyl acetate (EA) - acetonitrile
(AN) solvent mixtures indicate that this dye is preferentially solvated by CHX
in
CHX-EA solvent mixture and EA in EA-AN except in the case of EA20AN80
where solute molecule is preferentially solvated by AN rather than EA.
The ground- and excited-state dipole moments of 2AAQ have been estimated by
solvatochromic shift method. The change in dipole moment is calculated using
the correlation of microscopic solvent polarity parameter with the Stoke’s
shift. The ground state dipole moments are predicted theoretically in gas phase
by Gaussian 03 software using B3LYP/6-31G* level of theory and by semi-empirical
method (PM6 )
Studies on spectral variation of 2AAQ with solvent properties
No full textAbstract: In order to understand the nature and extent of solute-solvent interactions, the spectral variations of 2-amino-9, 10-anthraquinone (2AAQ) molecule are analyzed by using the linear solvation energy relationship (LSER) concept formulated by Katritzky et al15. The independent contributions of general and specific solute-solvent interactions have been calculated using multiple linear regression analysis method. The strength of the dipolarity and polarizability interaction is more than the specific solute-solvent interactions. Further, the solvation studies in cyclohexane (CHX) - ethyl acetate (EA) and ethyl acetate (EA) - acetonitrile (AN) solvent mixtures indicate that this dye is preferentially solvated by CHX in CHX-EA solvent mixture and EA in EA-AN except in the case of EA20AN80 where solute molecule is preferentially solvated by AN rather than EA. The ground- and excited-state dipole moments of 2AAQ have been estimated by solvatochromic shift method. The change in dipole moment is calculated using the correlation of microscopic solvent polarity parameter with the Stoke’s shift. The ground state dipole moments are predicted theoretically in gas phase by Gaussian 03 software using B3LYP/6-31G* level of theory and by semi-empirical method (PM6 )
Representation of the coverage of mass spectrometry ionization methods in two-dimensional plots of molecular weight and polarity or dipole moment
No full textNon-Radiative Transitions in Metal-Free Octaethylporphyrin and 2-Nitrofluorene Donor-Acceptor System
No full textThe aim of our work is to investigate the photoinduced electron transfer
in non-covalent metal-free octaethyl porphyrin and 2 nitrofluorene
system by electronic spectra and quantum chemical calculations.</div
Non-Radiative Transitions in Metal-Free Octaethylporphyrin and 2-Nitrofluorene Donor-Acceptor System
No full text<div><b>The aim of our work is to investigate the photoinduced electron transfer
in non-covalent metal-free octaethyl porphyrin and 2 nitrofluorene
system by electronic spectra and quantum chemical calculations.</b></div
Determination of ground and excited state dipole moments of amino-benzimidazole by solvatochromic shift methods and theoretical calculations
No full textOne pot synthesis of C-dots and study on its interaction with nano ZnO through fluorescence quenching
No full textPhotophysical properties of benzanthrone derivatives: effect of substituent, solvent polarity and hydrogen bonding
No full textExperimental and theoretical insights on the effect of solvent polarity on the photophysical properties of a benzanthrone dye
No full text
