Mahesh Jachak, Sushil Khopkar, Khushbu P. Patel
Feb 8, 2021
Citations
0
Influential Citations
2
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract Four novel push-pull d -π-A type chromophores namely (E)-2-cyano-3-(4-(di(pyridin-2-yl)amino)phenyl)acrylic acid (BECA), (E)-2-(5-(4-(di(pyridin-2-yl)amino)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid (BERA), (E)-2-cyano-3-(5-(di(pyridin-2-yl)amino)thiophen-2-yl)acrylic acid (THCA) and (E)-2-(5-((5-(di(pyridin-2-yl)amino)thiophen-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid (THRA) were synthesized. The dyes synthesize were characterized by HR-MS, 1H NMR, and 13C NMR spectroscopies. The synthesized dyes show absorption and emission wavelength in the range of 362–499 nm and 471–557 nm respectively. The chromophores BECA and BERA show a large stroke shift (63–130 nm) as compared to chromophores THCA and THRA (38–62 nm). Oscillator strengths (f), transition dipole moments (μeg), and different solvent polarity plots have been investigated for understanding intramolecular charge transfer (ICT) characteristics from donor to the acceptor. Interestingly, the viscosity induced emission for all four chromophores were observed in ethanol: polyethylene - 400 solvent mixtures. The computational study of these chromophores was carried out by using density functional theory (DFT) along with time-dependent density functional theory (TD-DFT).