Adduct formed by chromium trioxide and zwitterionic quinolinic acid

doi:10.2478/s11532-010-0033-z

Adduct formed by chromium trioxide and zwitterionic quinolinic acid

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Adduct formed by chromium trioxide and zwitterionic quinolinic acid

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Bibliographic description

punktacja MEiN [2010 A]: 20

title:	Adduct formed by chromium trioxide and zwitterionic quinolinic acid
author:	Sundberg Markku R., Uggla Rolf Å. M., Sillanpää Reijo J., Zborowski Krzysztof , Sánchez-González Angel, Matikainen Jorma K. T., Kaltia Seppo A. A., Hase Tapio A.
journal title:	Central European Journal of Chemistry
volume:	8
issue:	3
date of publication :	2010
pages:	486-493
ISSN:	1895-1066
eISSN:	1644-3624
DOI:	10.2478/s11532-010-0033-z
URL:	https://www.degruyter.com/downloadpdf/j/chem.2010.8.issue-3/s11532-010-0033-z/s11532-010-0033-z.pdf
date accessed:	2019-05-13
notes:	Bibliogr. s. 492-493.
language:	English
journal language:	English
abstract in English:	Chromium trioxide forms an adduct with zwitterionic quinolinic acid. The structure of the product was found to be (quinolinium-3- carboxylato-O)trioxidochromium(VI), determined by single-crystal X-ray diffraction methods. To evaluate the bonding properties of the compound, its structure was optimized at the B3LYP/6-311G* level of theory. The electronic characteristics were investigated by topological methods applied to the total charge density in various model compounds including the title compound, title compound with a HF molecule presenting a hydrogen bonding and anionic moiety. Calculated aromaticity indices indicate that the quinolinic rings tend to conserve their degree of aromaticity against hydrogen bonding. However, when there is hydrogen bonding involving an N-H bond or when the quinolinium zwitterion is deprotonated, there are clear changes in the interaction between chromium trioxide and the quinolinic moiety.
keywords in English:	chromium trioxide complexes electronic properties, aromaticity, AIM, ELF
affiliation:	Wydział Chemii : Zakład Chemii Ogólnej
type:	journal article
subtype:	academic paper

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