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 |
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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 | |
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 |
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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