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ABSTRACT:
SUBMITTER: Sanchez-Sanz G
PROVIDER: S-EPMC6155622 | biostudies-literature | 2017 Feb
REPOSITORIES: biostudies-literature
Sánchez-Sanz Goar G Alkorta Ibon I Elguero José J
Molecules (Basel, Switzerland) 20170202 2
A theoretical study of the peri interactions, both intramolecular hydrogen (HB) and chalcogen bonds (YB), in 1-hydroxy-8YH-naphthalene, 1,4-dihydroxy-5,8-di-YH-naphthalene, and 1,5-dihydroxy-4,8-di-YH-naphthalene, with Y = O, S, and Se was carried out. The systems with a OH:Y hydrogen bond are the most stable ones followed by those with a chalcogen O:Y interaction, those with a YH:O hydrogen bond (Y = S and Se) being the least stable ones. The electron density values at the hydrogen bond critica ...[more]