Microwave Assisted Synthesis, Physicochemical, Photophysical, Single Crystal X-ray and DFT Studies of Novel Push-Pull Chromophores.
Two push-pull chromophores were synthesized by knoevenagel condensation under microwave irradiation. The structure of synthesized chromophores were established by spectroscopic (FT-IR, (1)H NMR, (13)C NMR, EI-MS) and elemental analysis. Structure of the chromophores was further conformed by X-ray crystallographic. UV-Vis and fluorescence spectroscopy measurements provided that chromophores were good absorbent and fluorescent properties. Fluorescence polarity studies demonstrated that chromophores were sensitive to the polarity of the microenvironment provided by different solvents. Physicochemical parameters, including singlet absorption, extinction coefficient, stokes shift, oscillator strength, dipole moment and flurescence quantum yield were investigated in order to explore the analytical potential of the synthesized chromophores. In addition, the total energy, frontier molecular orbitals, hardness, electron affinity, ionization energy, electrostatic potential map were also studied computationally by using density functional theoretical method.
Chemistry Department, Faculty of Science, King Abdulaziz University, P.O. Box 80203, Jeddah, 21589, Saudi Arabia. sahmad_phd@yahoo.co.in.
Salman A
SA
Khan
Chemistry Department, Faculty of Science, King Abdulaziz University, P.O. Box 80203, Jeddah, 21589, Saudi Arabia.|Center of Excellence for Advanced Materials Research, King Abdulaziz University, P.O. Box 80203, Jeddah, Saudi Arabia.
Abdullah M
AM
Asiri
Chemistry Department, Faculty of Science, King Abdulaziz University, P.O. Box 80203, Jeddah, 21589, Saudi Arabia.
Hadi Mussa
HM
Basisi
Chemistry Department, Faculty of Science, King Abdulaziz University, P.O. Box 80203, Jeddah, 21589, Saudi Arabia.|Center of Excellence for Advanced Materials Research, King Abdulaziz University, P.O. Box 80203, Jeddah, Saudi Arabia.
Muhammad Nadeem
MN
Arshad
Department of Applied Science, School of Engineering & Technology, ITM University, Sector 23A, Gurgaon, 122017, India.
Kamlesh
K
Sharma
D002227:Carbazoles / Q000737:chemistry; D055598:Chemical Phenomena; D060326:Chemistry Techniques, Synthetic; D004396:Coloring Agents / Q000138:chemical synthesis* / Q000737:chemistry*; D018360:Crystallography, X-Ray; D005454:Fluorescence Polarization; D008872:Microwaves; D008958:Models, Molecular; D008968:Molecular Conformation; D011789:Quantum Theory
D002227:Carbazoles; D004396:Coloring Agents; C041514:carbazole
Chromophore; DFT; Flurescence quantum yield; Knoevenagel condensation; X-ray