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

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:

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;

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

Files attached

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Citovat

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.

@article{954088,
   author = {Kolman, Viktor and Babinský, Martin and Kulhánek, Petr and Marek, Radek and Šindelář, Vladimír},
   article_location = {Oxford},
   article_number = {12},
   doi = {http://dx.doi.org/10.1039/c1nj20631a},
   keywords = {supramolecular chemistry; nuclear magnetic shielding; density-functional theory; point charges; electrostatic repulsion;},
   language = {eng},
   issn = {1144-0546},
   journal = {New Journal of Chemistry},
   title = {Redistribution of electron density in pyridinium and pyrazinium guests induced by complexation with cucurbit[6]uril},
   url = {http://dx.doi.org/10.1039/C1NJ20631A},
   volume = {35},
   year = {2011}
}

TY  - JOUR
ID  - 954088
AU  - Kolman, Viktor - Babinský, Martin - Kulhánek, Petr - Marek, Radek - Šindelář, Vladimír
PY  - 2011
TI  - Redistribution of electron density in pyridinium and pyrazinium guests induced by complexation with cucurbit[6]uril
JF  - New Journal of Chemistry
VL  - 35
IS  - 12
SP  - 2854-2859
EP  - 2854-2859
PB  - Royal Society of Chemistry
SN  - 11440546
KW  - supramolecular chemistry
KW  - nuclear magnetic shielding
KW  - density-functional theory
KW  - point charges
KW  - electrostatic repulsion;
UR  - http://dx.doi.org/10.1039/C1NJ20631A
L2  - http://dx.doi.org/10.1039/C1NJ20631A
N2  - 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.
ER  -

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. \textit{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.

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