B-H center dot center dot center dot pi: a nonclassical hydrogen bond or dispersion contact?

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F17%3A00477552" target="_blank" >RIV/61388963:_____/17:00477552 - isvavai.cz</a>
Alternative codes found
RIV/61388980:_____/17:00477552 RIV/61989592:15310/17:73584451
Result on the web
<a href="http://pubs.rsc.org/en/content/articlehtml/2017/cp/c7cp02762a" target="_blank" >http://pubs.rsc.org/en/content/articlehtml/2017/cp/c7cp02762a</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c7cp02762a" target="_blank" >10.1039/c7cp02762a</a>

Result language
angličtina
Original language name
B-H center dot center dot center dot pi: a nonclassical hydrogen bond or dispersion contact?
Original language description
Close B-H . . . pi contacts have recently been observed in crystallographic structures of Ir-dithiolenephosphine complexes containing boron hydride cluster. This finding was interpreted using quantum chemical calculations as a new type of electrostatically driven nonclassical hydrogen bonding. However, such an explanation contradicts the wealth of evidence for unique noncovalent interactions of boron hydrides. Moreover, care must be exercised when computational methods are used to interpret new phenomena. Therefore, here, we cautiously examine the B-H center dot center dot center dot pi interaction by means of advanced quantum chemistry and disprove the claimed attractive electrostatic nature and rather define it as a nonspecific dispersion-driven contact. In summary, we present evidence that the crystallographically observed B-H center dot center dot center dot pi contacts do not constitute a novel type of hydrogen bonding of boron hydride clusters.
Czech name
—
Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry

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)

Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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