New luminescent 2-methoxy-6-(4-methoxy-phenyl)-4-p-tolyl-nicotinonitrile: synthesis, crystal structure, DFT and photophysical studies.
In the current communication, we report the synthesis, spectroscopic, crystal structure, DFT and photophysical studies of a new nicotinonitrile derivative, viz. 2-methoxy-6-(4-methoxy-phenyl)-4-p-tolyl-nicotinonitrile (2) as a potential blue light emitting material. The compound 2 was synthesized in good yield via a simple route. The acquired spectral and elemental analysis data were in consistent with the chemical structure of 2. The single crystal study further confirms its three dimensional structure, molecular shape, and nature of short contacts. Its DFT calculations reveal that compound 2 possesses a non-planar structure and its theoretical IR spectral data are found to be in accordance with experimental values. In addition, its UV-visible and fluorescence spectral measurements prove that the compound exhibits good absorption and fluorescence properties. Also, it shows positive solvatochromic effect when the solvent polarity was varied from non-polar to polar.
Department of Chemistry, National Institute of Technology Karnataka, Surathkal, Mangalore 575 025, India.
T N
TN
Ahipa
Department of Chemistry, National Institute of Technology Karnataka, Surathkal, Mangalore 575 025, India.
Pooja R
PR
Kamath
Solid State Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India.
Vijith
V
Kumar
Department of Chemistry, National Institute of Technology Karnataka, Surathkal, Mangalore 575 025, India. Electronic address: avachem@gmail.com.
Airody Vasudeva
AV
Adhikari
D018360:Crystallography, X-Ray; D004560:Electricity; D008027:Light; D049449:Luminescence; D013058:Mass Spectrometry; D008958:Models, Molecular; D008968:Molecular Conformation; D009570:Nitriles / Q000138:chemical synthesis* / Q000737:chemistry*; D066244:Proton Magnetic Resonance Spectroscopy; D011789:Quantum Theory; D012997:Solvents / Q000737:chemistry; D013050:Spectrometry, Fluorescence; D013056:Spectrophotometry, Ultraviolet; D017550:Spectroscopy, Fourier Transform Infrared
D009570:Nitriles; D012997:Solvents
Crystal structure; DFT calculation; Fluorescence; Nicotinonitrile; Solvatochromism