X-ray, DFT, FTIR and thermal study of the antimicrobial N-benzenesulfonyl-1H-1,2,3-benzotriazole

Article ID	Journal	Published Year	Pages	File Type
7807420	Journal of Molecular Structure	2018	31 Pages	PDF

Keywords

XRPD BZT HSM PED SQM NBO DSC RMSD scXRD PES DFT Thermal analysis Radical anion Electrophilicity electron affinity Benzotriazole Thermogravimetry Trypanosoma cruzi Potential energy distribution 3D structure Hardness Potential energy surface FTIR Fourier transform infrared spectroscopy Natural Bond Orbital root mean square deviation Hot stage microscopy Density functional theory Chemical potential Ionization potential single crystal X-ray diffraction X-ray powder diffraction Radical cation Differential scanning calorimetry

Related Topics

Physical Sciences and Engineering Chemistry Organic Chemistry

X-ray, DFT, FTIR and thermal study of the antimicrobial N-benzenesulfonyl-1H-1,2,3-benzotriazole

Authors

Fabián Komrovsky, Norma R. Sperandeo, D. Mariano A. Vera, Mino R. Caira, MarÃa R. Mazzieri,