Resonance Assisted Chalcogen Bonding as a New Synthon in the Design of Dyes.

Atash V Gurbanov Maxim L Kuznetsov Kamran T Mahmudov Armando J L Pombeiro Giuseppe Resnati

Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2020)

Intramolecular chalcogen bonding in arylhydrazones of sulfamethizole is strengthened by conjugation in the π-system of a noncovalent five-membered ring. The S⋅⋅⋅O distance in the sulfamethizole moiety of these compounds ranges from 2.698(3) to 2.806(15) Å, which indicates its strong dependence on the attached arylhydrazone fragments. Information on the nature of the intramolecular chalcogen bond was afforded by DFT calculations.

Keyphrases

energy transfer
density functional theory
molecular dynamics
quantum dots
molecular dynamics simulations
molecular docking
health information