Search
Imidazolium silanethiolates relevant to the active site of cysteineproteases. A cooperative effect in a chain of NH(+)...S(-) hydrogenbonds
Abstract
Three imidazolium silanethiolates relevant to the active site of cysteine proteases have been synthesized and investigated by X-ray diffraction, IR spectroscopy and computational methods. As indicated by crystallographic and FT-IR data in the solid state, the transfer of proton from thiol to imidazole takes place and a thiolato-imidazolium ion pair is formed. The FT-IR spectra of crystalline imidazolium silanethiolates exhibit intense continua characteristic for systems containing highly polarizable protons. DFT and ab initio HF calculations confirm the transfer of proton and prove the cooperativity of hydrogen bonds in the studied systems.
Authors (4)
Cite as
Full text
full text is not available in portal
Keywords
Details
- Category:
- Articles
- Type:
- artykuł w czasopiśmie wyróżnionym w JCR
- Published in:
-
NEW JOURNAL OF CHEMISTRY
no. 36,
edition 8,
pages 1574 - 1582,
ISSN: 1144-0546 - Language:
- English
- Publication year:
- 2012
- Bibliographic description:
- Kazimierczuk K., Piwowarska N., Herman A., Dołęga A.: Imidazolium silanethiolates relevant to the active site of cysteineproteases. A cooperative effect in a chain of NH(+)...S(-) hydrogenbonds// NEW JOURNAL OF CHEMISTRY. -Vol. 36, iss. 8 (2012), s.1574-1582
- Verified by:
- Gdańsk University of Technology
seen 116 times
Recommended for you
Ab initio molecular treatment for charge transfer by S3+ ion on hydrogen.
- M. D. Łabuda,
- J. E. Sienkiewicz,
- Y. S. Tergiman
- + 1 authors
2004