Phenol: A Succinct Essay About Its Bonding Ability in Three Examples

• Autorzy: Kryachko E. , Nguyen M.T.
• Języki publikacji: EN

Abstrakty

EN

The present essay represents an effort to focus on some aspects of the bonding abilities of phenol throughout a theoretical study of the three potential energy surfaces of the interaction of phenol with the HCN, HOCN, and HF (including HCl) molecules. The studied surfaces clearly demonstrate the existence of the alternative bonding of phenol via its _ cloud, largerly localized in the vicinity of the para carbon atom, leading to the formation of metastable _ hydrogen-bonded complexes with sufficiently large lifetimes comparable with experimental timescales.

Słowa kluczowe

EN

phenol; hydrogen bond; pi-hydrogen bond; HCN; HOCN; HF; HCl

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2002
• Tom: Vol. 76 / nr 9
• Strony: 1233--1242

Twórcy

autor

Kryachko E.

• Department of Chemistry, University of Leuven, Celestijnenlaan 200 F, B-3001 Leuven, Belgium

autor

Nguyen M.T.

• Department of Chemistry, University of Leuven, Celestijnenlaan 200 F, B-3001 Leuven, Belgium

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