Conformational and vibrational spectroscopic investigation of N-n‑butyl, S-2-nitro-1-(p-tolyl)ethyl dithiocarbamate – a bio-relevant sulfur molecule
Thakur Prasad Yadav, Goutam Brahmachari, Indrajit Karmakar, Pawan Kumar Yadav, Ajit Kumar Prasad, Amit Pathak, Avinash Agarwal, Rajneesh Kumar, V. Mukherjee, Girijesh Narayan Pandey, R.R.F. Bento, Nagendra Prasad Yadav
Topics & Concepts
ChemistryDithiocarbamateConformational isomerismMoleculeNatural bond orbitalNitroComputational chemistryBasis setMolecular orbitalHOMO/LUMOMolecular geometryPhysical chemistryCrystallographyOrganic chemistryAlkylNonlinear Optical Materials ResearchSynthesis and biological activityOrganometallic Compounds Synthesis and Characterization