KOLMAN, Viktor, Martin BABINSKÝ, Petr KULHÁNEK, Radek MAREK and Vladimír ŠINDELÁŘ. Redistribution of electron density in pyridinium and pyrazinium guests induced by complexation with cucurbit[6]uril. New Journal of Chemistry. Oxford: Royal Society of Chemistry, 2011, vol. 35, No 12, p. 2854-2859. ISSN 1144-0546. doi:10.1039/c1nj20631a.
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Basic information
Original name Redistribution of electron density in pyridinium and pyrazinium guests induced by complexation with cucurbit[6]uril
Authors KOLMAN, Viktor (203 Czech Republic, belonging to the institution), Martin BABINSKÝ (703 Slovakia, belonging to the institution), Petr KULHÁNEK (203 Czech Republic, belonging to the institution), Radek MAREK (203 Czech Republic, belonging to the institution) and Vladimír ŠINDELÁŘ (203 Czech Republic, guarantor, belonging to the institution).
Edition New Journal of Chemistry, Oxford, Royal Society of Chemistry, 2011, 1144-0546.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10403 Physical chemistry
Country of publisher United Kingdom of Great Britain and Northern Ireland
Confidentiality degree is not subject to a state or trade secret
WWW DOI: 10.1039/C1NJ20631A
Impact factor Impact factor: 2.605
RIV identification code RIV/00216224:14310/11:00050071
Organization unit Faculty of Science
Doi http://dx.doi.org/10.1039/c1nj20631a
UT WoS 000297222300018
Keywords in English supramolecular chemistry; nuclear magnetic shielding; density-functional theory; point charges; electrostatic repulsion;
Tags AKR, rivok
Tags International impact, Reviewed
Changed by Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 2. 2. 2012 10:16.
Abstract
Complexes of cucurbit[6]uril with pyridinium and pyrazinium guests were studied by using 1H, 13C, and 15N NMR spectroscopy. Complexation induced chemical shifts of guests, which do not follow generally accepted rules, were rationalized using quantum chemical calculations.
Links
ED0001/01/01, research and development projectName: CETOCOEN
ED1.1.00/02.0068, research and development projectName: CEITEC - central european institute of technology
GAP207/10/0695, research and development projectName: Controlled Synthesis of Glycoluril Supramolecular Objects
Investor: Czech Science Foundation
MSM0021622413, plan (intention)Name: Proteiny v metabolismu a při interakci organismů s prostředím
Investor: Ministry of Education, Youth and Sports of the CR, Proteins in metabolism and interaction of organisms with the environment
MUNI/A/0980/2009, interní kód MUName: Molekulární a supramolekulární stavební bloky pro nanostrukturované materiály (Acronym: MOSTNAMAT)
Investor: Masaryk University, Category A
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