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Number of results

Journal

2010 | 8 | 3 | 486-493

Article title

Adduct formed by chromium trioxide and zwitterionic quinolinic acid

Content

Title variants

Languages of publication

EN

Abstracts

EN
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. [...]

Publisher

Journal

Year

Volume

8

Issue

3

Pages

486-493

Physical description

Dates

published
1 - 6 - 2010
online
25 - 4 - 2010

Contributors

  • Department of Chemistry, Laboratory of Inorganic Chemistry, University of Helsinki, PO Box 55, FIN-00014, Helsinki, Finland
author
  • Department of Chemistry, Laboratory of Inorganic Chemistry, University of Helsinki, PO Box 55, FIN-00014, Helsinki, Finland
  • Department of Chemistry, Laboratory of Inorganic Chemistry, University of Jyväskylä, PO Box 35, FIN-40351, Jyväskylä, Finland
  • Faculty of Chemistry, Jagiellonian University, 30-060, Kraków, Poland
  • Department of Chemistry and Industrial Chemistry, University of Pisa, 56126, Pisa, Italy
  • Department of Chemistry, Laboratory of Organic Chemistry, University of Helsinki, PO Box 55, FIN-00014, Helsinki, Finland
author
  • Department of Chemistry, Laboratory of Organic Chemistry, University of Helsinki, PO Box 55, FIN-00014, Helsinki, Finland
author
  • Department of Chemistry, Laboratory of Organic Chemistry, University of Helsinki, PO Box 55, FIN-00014, Helsinki, Finland

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Document Type

Publication order reference

Identifiers

YADDA identifier

bwmeta1.element.-psjd-doi-10_2478_s11532-010-0033-z
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