About: Chemical Structures from the Analysis of Domain-Averaged Fermi holes. Hypervalence and the Nature of Bonding in Isocoordinated Molecules SF6 and CLi6.

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About: Chemical Structures from the Analysis of Domain-Averaged Fermi holes. Hypervalence and the Nature of Bonding in Isocoordinated Molecules SF6 and CLi6. Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The nature of bonding in isocoordinated molecules of SF6 and CLi6 was analyzed using the recently proposed approach based on the scrutiny of the so-called domain-averaged Fermi holes. It has been shown that although the molecule of SF6 does not satisfy the charge criterion of hypervalence, that actual picture of bonding is consistent with the traditional hypervalent model assuming the existence of six localized albeit very polar SF bonds around the central atom. On the other hand, while the molecule of CLi6 represents the ideal candidate for hypervalence according to charge criterion, the picture of bonding is, in this case, considerably different from what the concept of hypervalence is traditionally associated with and can be better characterized by the term hypercoordination. The nature of bonding in isocoordinated molecules of SF6 and CLi6 was analyzed using the recently proposed approach based on the scrutiny of the so-called domain-averaged Fermi holes. It has been shown that although the molecule of SF6 does not satisfy the charge criterion of hypervalence, that actual picture of bonding is consistent with the traditional hypervalent model assuming the existence of six localized albeit very polar SF bonds around the central atom. On the other hand, while the molecule of CLi6 represents the ideal candidate for hypervalence according to charge criterion, the picture of bonding is, in this case, considerably different from what the concept of hypervalence is traditionally associated with and can be better characterized by the term hypercoordination. (en)
Title	Chemical Structures from the Analysis of Domain-Averaged Fermi holes. Hypervalence and the Nature of Bonding in Isocoordinated Molecules SF6 and CLi6. Chemical Structures from the Analysis of Domain-Averaged Fermi holes. Hypervalence and the Nature of Bonding in Isocoordinated Molecules SF6 and CLi6. (en)
skos:prefLabel	Chemical Structures from the Analysis of Domain-Averaged Fermi holes. Hypervalence and the Nature of Bonding in Isocoordinated Molecules SF6 and CLi6. Chemical Structures from the Analysis of Domain-Averaged Fermi holes. Hypervalence and the Nature of Bonding in Isocoordinated Molecules SF6 and CLi6. (en)
skos:notation	RIV/67985858:_____/02:27020230!RIV/2003/AV0/A27003/N
http://linked.open.../vavai/riv/strany	9506;9511
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(IAA4072006), P(OC D9.20), Z(AV0Z4072921)
http://linked.open...iv/cisloPeriodika	N/A
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Ponec, Robert
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav chemických procesů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	640749
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/02:27020230
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Fermi holes; hypervalence; chemical bond (en)
http://linked.open.../riv/klicoveSlovo	Fermi holes chemical bond hypervalence
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[559B58A921CE]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	Electron pairing and chemical bonds http://linked.opendata.cz/resource/domain/vavai/projekt/OC%20D9.20
http://linked.open...UplatneniVysledku	2002
http://linked.open...v/svazekPeriodika	106
http://linked.open...iv/tvurceVysledku	Ponec, Robert Gironés, X.
http://linked.open...n/vavai/riv/zamer	Theoretical fundamentals of chemical processes: equilibrium and dynamic behavior of multiphase reacting systems
issn	0022-3654
number of pages	6 (xsd:int)

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