Chalcogen and Pnicogen Bonds in Complexes of Neutral Icosahedral and Bicapped Square-Antiprismatic Heteroboranes
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F15%3A33157053" target="_blank" >RIV/61989592:15310/15:33157053 - isvavai.cz</a>
Alternative codes found
RIV/61388980:_____/15:00444025 RIV/61388963:_____/15:00444025
Result on the web
<a href="http://pubs.acs.org/doi/full/10.1021/jp511101n" target="_blank" >http://pubs.acs.org/doi/full/10.1021/jp511101n</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jp511101n" target="_blank" >10.1021/jp511101n</a>
Alternative languages
Result language
angličtina
Original language name
Chalcogen and Pnicogen Bonds in Complexes of Neutral Icosahedral and Bicapped Square-Antiprismatic Heteroboranes
Original language description
A systematic quantum mechanical study of ?-hole (chalcogen, pnicogen, and halogen) bonding in neutral experimentally known closo-heteroboranes is performed. Chalcogens and pnicogens are incorporated in the borane cage, whereas halogens are considered asexo-substituents of dicarbaboranes. The chalcogen and pnicogen atoms in the heteroborane cages have partial positive charge and thus more positive ?-holes. Consequently, these heteroboranes form very strong chalcogen and pnicogen bonds. Halogen atoms indicarbaboranes also have a highly positive ?-hole, but only in the case of C-bonded halogen atoms. In such cases, the halogen bond of heteroboranes is also strong and comparable to halogen bonds in organic compounds with several electron-withdrawing groups being close to the halogen atom involved in the halogen bond.
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
CF - Physical chemistry and theoretical 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)
Others
Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry A
ISSN
1089-5639
e-ISSN
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Volume of the periodical
119
Issue of the periodical within the volume
8
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
1388-1395
UT code for WoS article
000350328800018
EID of the result in the Scopus database
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