Experimental and theoretical study of reactivity and structure of salicylic alcohols

M. L. Belyanin, E. V. Kulmeneva

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

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 languageEnglish
Title of host publicationProceedings - KORUS 2000: 4th Korea-Russia International Symposium on Science and Technology
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages227-230
Number of pages4
Volume1
ISBN (Print)0780364864, 9780780364868
DOIs
Publication statusPublished - 2000
Event4th Korea-Russia International Symposium on Science and Technology, KORUS 2000 - Ulsan, Korea, Republic of
Duration: 27 Jun 20001 Jul 2000

Other

Other4th Korea-Russia International Symposium on Science and Technology, KORUS 2000
CountryKorea, Republic of
CityUlsan
Period27.6.001.7.00

Fingerprint

Conformations
Alcohols
Theoretical Models
Hydrogen
Hydrogen bonds
Quantum chemistry
Acylation
Molecules
Electronic structure
Acetates

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

Cite this

Belyanin, M. L., & Kulmeneva, E. V. (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, pp. 227-230). [865957] Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/KORUS.2000.865957

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 proceedingConference 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
Belyanin ML, Kulmeneva EV. 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. Institute of Electrical and Electronics Engineers Inc. 2000. p. 227-230. 865957 https://doi.org/10.1109/KORUS.2000.865957
Belyanin, M. L. ; Kulmeneva, E. V. / Experimental and theoretical study of reactivity and structure of salicylic alcohols. Proceedings - KORUS 2000: 4th Korea-Russia International Symposium on Science and Technology. Vol. 1 Institute of Electrical and Electronics Engineers Inc., 2000. pp. 227-230
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