Synthesis, XRD crystal structure, spectroscopic characterization (FT-IR, 1 H and 13 C NMR), DFT studies, chemical reactivity and bond dissociation energy studies using molecular dynamics simulations and evaluation of antimicrobial and antioxidant activities of a novel chalcone derivative, ( E )-1-(4-bromophenyl)-3-(4-iodophenyl)prop-2-en-1-one

Title

Synthesis, XRD crystal structure, spectroscopic characterization (FT-IR, 1 H and 13 C NMR), DFT studies, chemical reactivity and bond dissociation energy studies using molecular dynamics simulations and evaluation of antimicrobial and antioxidant activities of a novel chalcone derivative, ( E )-1-(4-bromophenyl)-3-(4-iodophenyl)prop-2-en-1-one

Authors

Keywords

DFT, Chalcone, XRD, FT-IR, NMR, Antimicrobial activity

Journal

JOURNAL OF MOLECULAR STRUCTURE

Volume 1128, Issue -, Pages 520-533

Publisher

Elsevier BV

Online

2016-09-13

DOI

10.1016/j.molstruc.2016.09.022