Synthesis, growth, spectral, and thermal studies of a new organic molecular charge transfer complex crystal: 3-Nitroaniline 4-methyl benzene sulfonate

• The structure reported for the first time in literature.
• The single crystals were grown from solution growth technique at room temperature.
• The charge transfer complex thermally stable upto 215 °C.
• Synthesis, structure and spectroscopic characterization were discussed.

A new organic intermolecular charge transfer complex 3-nitroaniline 4-methyl benzene sulfonate (NATS) has been successfully synthesized and good optical quality single crystals grown by slow solvent evaporation solution growth technique at room temperature using methanol as the solvent. The 1H and 13C NMR spectra were recorded to establish the molecular structure of the title complex. The crystal structure of NATS has been determined by single crystal XRD analysis and it belongs to orthorhombic crystal system with space group Pbca. Fourier transform infrared (FT-IR) spectral study has been carried out to confirm the presence of various functional groups present in the complex. Electronic absorption spectrum was recorded to find the prevalent charge transfer activity in the complex. The UV–Vis–NIR transmission spectrum was recorded in the range 200–2500 nm, to find the optical transmittance window and lower cut off wavelength of the title crystal. The thermal stability of the title complex crystal was studied by using thermo-gravimetric and differential thermal analyses and found that the compound is stable up to 215 °C.

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