A5025587492- Crystallization and Solubility Studies
- Fullerene Chemistry and Applications
- X-ray Diffraction in Crystallography
- Organic Electronics and Photovoltaics
- Photochemistry and Electron Transfer Studies
- Porphyrin and Phthalocyanine Chemistry
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Polydiacetylene-based materials and applications
- Conducting polymers and applications
- Crystal structures of chemical compounds
- Nonlinear Optical Materials Research
- Crystallography and molecular interactions
Khwaja Fareed University of Engineering and Information Technology
2019-2020
Herein, we report the quantum chemical results based on density functional theory for polarizability (α) and first hyperpolarizability (β) values of diacetylene-functionalized organic molecules (DFOM) containing an electron acceptor (A) unit in form nitro group donor (D) amino group. Six DFOM 1–6 have been designed by structural tailoring synthesized chromophore 4,4′-(buta-1,3-diyne-1,4-diyl) dianiline (R) influence D A moieties α β was explored. Ground state geometries, HOMO-LUMO energies,...
Abstract Herein, the crystalline N ‐substituted benzylidene acetohydrazide derivatives: ′‐(4‐bromo‐2‐fluorobenzylidene)‐2‐((6‐chloropyridin‐2‐yl)oxy) ( BFBAH ) and 2‐((6‐chloropyridin‐2‐yl)oxy)‐ ′‐(4‐methoxybenzylidene) MOBAH were produced structures characterized confirmed by NMR spectroscopy single crystal analysis. SC‐XRD study disclosed that molecules are connected with each other in form of dimers through hydrogen bonding network . Additionally, theoretical calculations performed using...