Redistribution of electron density in pyridinium and pyrazinium guests induced by complexation with cucurbit[6]uril

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. Available from: https://dx.doi.org/10.1039/c1nj20631a.

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

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 project: Name: CETOCOEN
• ED1.1.00/02.0068, research and development project: Name: CEITEC - central european institute of technology
• GAP207/10/0695, research and development project: Name: 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 MU: Name: Molekulární a supramolekulární stavební bloky pro nanostrukturované materiály (Acronym: MOSTNAMAT)

Investor: Masaryk University, Category A