Perspectives on halogen bonding and other sigma-hole interactions: Lex parsimoniae (Occam's Razor)

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F12%3A00385745" target="_blank" >RIV/61388963:_____/12:00385745 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.comptc.2012.06.007" target="_blank" >http://dx.doi.org/10.1016/j.comptc.2012.06.007</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.comptc.2012.06.007" target="_blank" >10.1016/j.comptc.2012.06.007</a>

Result language
angličtina
Original language name
Perspectives on halogen bonding and other sigma-hole interactions: Lex parsimoniae (Occam's Razor)
Original language description
Many covalently-bonded atoms of Groups IV-VII have regions of positive electrostatic potential (sigma-holes) opposite to the bonds, along their extensions. Through these positive regions, the atoms can interact highly directionally with negative sites. (Halogen bonding, in which the sigma-hole is on a Group VII atom, is an example of this, and we suggest that hydrogen bonding is as well.) The formation and observed properties of the resulting noncovalent complexes can be fully explained in terms of electrostatics/polarization plus dispersion as the driving forces; this straightforward interpretation is based largely upon physical observables - electrostatic potentials, geometries, interaction energies and electric fields. More elaborate interpretations, involving less physically-based methods and models, have also been advanced. In this paper, we try to reconcile some of these seemingly different approaches.
Czech name
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Czech description
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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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Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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