J 2011

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

KOLMAN, Viktor, Martin BABINSKÝ, Petr KULHÁNEK, Radek MAREK, Vladimír ŠINDELÁŘ et. al.

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

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10403 Physical chemistry

Country of publisher

United Kingdom of Great Britain and Northern Ireland

Confidentiality degree

není předmětem státního či obchodního tajemství

References:

Impact factor

Impact factor: 2.605

RIV identification code

RIV/00216224:14310/11:00050071

Organization unit

Faculty of Science

DOI

UT WoS

000297222300018

Keywords in English

supramolecular chemistry; nuclear magnetic shielding; density-functional theory; point charges; electrostatic repulsion;

Tags

Tags

International impact, Reviewed
Změněno: 2/2/2012 10:16, prof. RNDr. Radek Marek, Ph.D.

Abstract

V originále

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

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