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Dihalogen and Pnictogen Bonding in Crystalline Icosahedral Phosphaboranes

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F18%3A00498258" target="_blank" >RIV/61388963:_____/18:00498258 - isvavai.cz</a>

  • Alternative codes found

    RIV/61388980:_____/18:00498258

  • Result on the web

    <a href="https://www.mdpi.com/2073-4352/8/10/390/htm" target="_blank" >https://www.mdpi.com/2073-4352/8/10/390/htm</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.3390/cryst8100390" target="_blank" >10.3390/cryst8100390</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Dihalogen and Pnictogen Bonding in Crystalline Icosahedral Phosphaboranes

  • Original language description

    Noncovalent interactions in the single crystal of 3,6-Cl-2-closo-1,2-P2B10H8 and in the crystal of closo-1,7-P2B10Cl10 center dot toluene were analyzed by means of quantum chemical computations. The crystal packing in the second crystal was dominated by numerous B-Cl center dot center dot center dot Cl-B dihalogen and strong B-P center dot center dot center dot pi pnictogen bonds, the latter of which were characterized by a small length of 3.08 angstrom and a large interaction energy value, exceeding10 kcal mol(-1).

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10403 - Physical chemistry

Result continuities

  • Project

    <a href="/en/project/GA17-08045S" target="_blank" >GA17-08045S: Getting stronger together: exo-substituted heteroboranes and their adducts as suitable motifs for exploration of non-covalent interactions</a><br>

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Others

  • Publication year

    2018

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Crystals

  • ISSN

    2073-4352

  • e-ISSN

  • Volume of the periodical

    8

  • Issue of the periodical within the volume

    10

  • Country of publishing house

    CH - SWITZERLAND

  • Number of pages

    9

  • Pages from-to

  • UT code for WoS article

    000448550400024

  • EID of the result in the Scopus database

    2-s2.0-85055955322