Experimental and theoretical study of reactivity and structure of salicylic alcohols

Abstract

Calculations of spatial and electronic structures of salicylic alcohols and their acetates using quantum chemistry PM3 method were performed in approach of "isolated molecules" and in aqueous solutions. Calculations show that in approach of "isolated molecules" the most stable conformation is nonplanar as result of an internal hydrogen bond. On the other hand, into aqueous solutions salicylic alcohols exist mainly in form of an antiplanar conformations stabilized by internal hydrogen bonds. We have shown that reactivity of salicylic alcohols in the acylation reactions is controlled with latter conformations.

Original language	English
Title of host publication	Proceedings - KORUS 2000: 4th Korea-Russia International Symposium on Science and Technology
Publisher	Institute of Electrical and Electronics Engineers Inc.
Pages	227-230
Number of pages	4
Volume	1
ISBN (Print)	0780364864, 9780780364868
DOIs	https://doi.org/10.1109/KORUS.2000.865957
Publication status	Published - 2000
Event	4th Korea-Russia International Symposium on Science and Technology, KORUS 2000 - Ulsan, Korea, Republic of Duration: 27 Jun 2000 → 1 Jul 2000

Other

Other	4th Korea-Russia International Symposium on Science and Technology, KORUS 2000
Country	Korea, Republic of
City	Ulsan
Period	27.6.00 → 1.7.00

Keywords

hydrogen bonds
quantum chemistry
salicylic alcohols

ASJC Scopus subject areas

Clinical Biochemistry
Computer Networks and Communications
Biotechnology
Civil and Structural Engineering
Mechanics of Materials
Electronic, Optical and Magnetic Materials
Materials Chemistry
Surfaces, Coatings and Films

Access to Document

10.1109/KORUS.2000.865957

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Experimental and theoretical study of reactivity and structure of salicylic alcohols. / Belyanin, M. L.; Kulmeneva, E. V.

Proceedings - KORUS 2000: 4th Korea-Russia International Symposium on Science and Technology. Vol. 1 Institute of Electrical and Electronics Engineers Inc., 2000. p. 227-230 865957.

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Belyanin, ML & Kulmeneva, EV 2000, Experimental and theoretical study of reactivity and structure of salicylic alcohols. in Proceedings - KORUS 2000: 4th Korea-Russia International Symposium on Science and Technology. vol. 1, 865957, Institute of Electrical and Electronics Engineers Inc., pp. 227-230, 4th Korea-Russia International Symposium on Science and Technology, KORUS 2000, Ulsan, Korea, Republic of, 27.6.00. https://doi.org/10.1109/KORUS.2000.865957

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title = "Experimental and theoretical study of reactivity and structure of salicylic alcohols",

abstract = "Calculations of spatial and electronic structures of salicylic alcohols and their acetates using quantum chemistry PM3 method were performed in approach of {"}isolated molecules{"} and in aqueous solutions. Calculations show that in approach of {"}isolated molecules{"} the most stable conformation is nonplanar as result of an internal hydrogen bond. On the other hand, into aqueous solutions salicylic alcohols exist mainly in form of an antiplanar conformations stabilized by internal hydrogen bonds. We have shown that reactivity of salicylic alcohols in the acylation reactions is controlled with latter conformations.",

keywords = "hydrogen bonds, quantum chemistry, salicylic alcohols",

author = "Belyanin, {M. L.} and Kulmeneva, {E. V.}",

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N2 - Calculations of spatial and electronic structures of salicylic alcohols and their acetates using quantum chemistry PM3 method were performed in approach of "isolated molecules" and in aqueous solutions. Calculations show that in approach of "isolated molecules" the most stable conformation is nonplanar as result of an internal hydrogen bond. On the other hand, into aqueous solutions salicylic alcohols exist mainly in form of an antiplanar conformations stabilized by internal hydrogen bonds. We have shown that reactivity of salicylic alcohols in the acylation reactions is controlled with latter conformations.

AB - Calculations of spatial and electronic structures of salicylic alcohols and their acetates using quantum chemistry PM3 method were performed in approach of "isolated molecules" and in aqueous solutions. Calculations show that in approach of "isolated molecules" the most stable conformation is nonplanar as result of an internal hydrogen bond. On the other hand, into aqueous solutions salicylic alcohols exist mainly in form of an antiplanar conformations stabilized by internal hydrogen bonds. We have shown that reactivity of salicylic alcohols in the acylation reactions is controlled with latter conformations.

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