AMHB: (Anti)aromaticity-Modulated Hydrogen Bonding was written by Kakeshpour, Tayeb;Wu, Judy I.;Jackson, James E.. And the article was included in Journal of the American Chemical Society in 2016.Application of 1003-07-2 This article mentions the following:
This in silico survey shows that changes in the (anti)aromatic character of π-conjugated heterocycles can be used to fine-tune their hydrogen (H-)bond strengths. Upon H-bonding dimerization, the π-electrons of these rings can be polarized to reinforce or disrupt their (anti)aromatic π-conjugated circuits (πCCs) and stabilize or destabilize the resulting H-bonded complexes. H-bonding interactions that enhance aromaticity or relieve antiaromaticity are fortified, whereas those that intensify antiaromaticity or disrupt aromaticity are weakened, relative to analogs lacking full π-circuits. Computed dissected nucleus-independent chem. shifts, NICS(1)zz, reveal a uniform pattern and document changes in the magnetic (anti)aromatic character of the heterocycles considered. Recognition of this (anti)aromaticity-modulated H-bonding (AMHB) phenomenon offers insights into a range of fields from organocatalysis and self-assembly to pharmaceutical chem. and mol. biol. In the experiment, the researchers used many compounds, for example, Isothiazol-3(2H)-one (cas: 1003-07-2Application of 1003-07-2).
Isothiazol-3(2H)-one (cas: 1003-07-2) belongs to isothiazole derivatives. The chemistry of isothiazoles is being intensively developed, which is evidenced by the wide range of selective transformations involving the isothiazole heterocycle and the high biological activity of its derivatives that can be used as effective new drugs and plant protection chemicals. Many compounds with an isothiazole scaffold demonstrated a wide range of biological profiles, including antiinflammatory, antithrombotic, and anticonvulsive agents.Application of 1003-07-2
Referemce:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com