Bonding Analysis of the [C2O4](2+) Intermediate Formed in the Reaction of CO22+ with Neutral CO2
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F10%3A10062519" target="_blank" >RIV/00216208:11310/10:10062519 - isvavai.cz</a>
Alternative codes found
RIV/67985858:_____/10:00344001 RIV/61388963:_____/10:00344001
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Bonding Analysis of the [C2O4](2+) Intermediate Formed in the Reaction of CO22+ with Neutral CO2
Original language description
The bonding patterns of the [C2O4](2+) dication formed upon interaction of CO22+ with neutral CO2 are investigated using the analysis of domain-averaged Fermi holes (DAFHs). The DAFH approach provides an explanation for the previously observed "asymmetry" of the energy deposition in the pair of CO2+ monocations formed in the thermal reaction CO22+ + CO2 -} [C2O4](2+) -} 2 CO2+, specifically that the CO2+ monocation formed from the dication dissociates far more readily than the CO2+ monocation formed from the neutral molecule.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CC - Organic chemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2010
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory
ISSN
1089-5639
e-ISSN
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Volume of the periodical
114
Issue of the periodical within the volume
24
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
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UT code for WoS article
000278805700015
EID of the result in the Scopus database
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