About: Chemical Structures from the Analysis of Domain Averaged Fermi holes. The Nature of GaGa Bonding in PhGaGaPh(2-) and PhGaGaPhNa2

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About: Chemical Structures from the Analysis of Domain Averaged Fermi holes. The Nature of GaGa Bonding in PhGaGaPh(2-) and PhGaGaPhNa2 Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The nature of the Ga-Ga bond in the naked dianion PhGaGaPh2- and its Na+-coordinated counterpart is discussed using the recently proposed formalism based on the analysis of domain-averaged Fermi holes. The analysis shows clearly that three electron pairs, i.e., two sigma and one pi, contribute to the Ga-Ga bonding interactions in the free dianion PhGaGaPh2- and in the sodium-complexed species (PhGaGaPh)Na-2. The eigenvalues and the eigenvectors of the Fermi hole indicate, however, that the Ga-Ga bonding situation does not correspond to classical triple bonds and should not be interpreted using classical bonding models The nature of the Ga-Ga bond in the naked dianion PhGaGaPh2- and its Na+-coordinated counterpart is discussed using the recently proposed formalism based on the analysis of domain-averaged Fermi holes. The analysis shows clearly that three electron pairs, i.e., two sigma and one pi, contribute to the Ga-Ga bonding interactions in the free dianion PhGaGaPh2- and in the sodium-complexed species (PhGaGaPh)Na-2. The eigenvalues and the eigenvectors of the Fermi hole indicate, however, that the Ga-Ga bonding situation does not correspond to classical triple bonds and should not be interpreted using classical bonding models (en) Povaha vazby GaGa v dianiontu PhGaGaPh(2-) a jeho dvojnásobně Na+ koordinované soli je diskutována pomocí nedávno navrženého formalismu založeného na analyse doménově průměrovaných Fermiho děr. Analysa ukázala, že k vazbě v obou sloučeninách přispívají 3 elektronové páry tvořící jednu pi a dvě sigma komponenty. Vlastní hodnoty a vlastní vektory příslušných Fermiho děr ukazují, že vazba neodpovídá klasické trojné vazbě a že nemůže být interpretována pomocí klasického modelu chemické vazby (cs)
Title	Chemical Structures from the Analysis of Domain Averaged Fermi holes. The Nature of GaGa Bonding in PhGaGaPh(2-) and PhGaGaPhNa2 Chemická struktura z analysy doménově průměrovaných Fermiho děr. Povaha vazby GaGa v PhGaGaPh(2-) a PhGaGaPhNa2 (cs) Chemical Structures from the Analysis of Domain Averaged Fermi holes. The Nature of GaGa Bonding in PhGaGaPh(2-) and PhGaGaPhNa2 (en)
skos:prefLabel	Chemical Structures from the Analysis of Domain Averaged Fermi holes. The Nature of GaGa Bonding in PhGaGaPh(2-) and PhGaGaPhNa2 Chemická struktura z analysy doménově průměrovaných Fermiho děr. Povaha vazby GaGa v PhGaGaPh(2-) a PhGaGaPhNa2 (cs) Chemical Structures from the Analysis of Domain Averaged Fermi holes. The Nature of GaGa Bonding in PhGaGaPh(2-) and PhGaGaPhNa2 (en)
skos:notation	RIV/67985858:_____/04:00104855!RIV/2005/AV0/A27005/N
http://linked.open.../vavai/riv/strany	1790;1796
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(IAA4072006), Z(AV0Z4072921)
http://linked.open...iv/cisloPeriodika	8
http://linked.open...vai/riv/dodaniDat	2005
http://linked.open...aciTvurceVysledku	Juzakov, Gleb 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	557531
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/04:00104855
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Ga-Ga bonding;domain averaged fermi holes (en)
http://linked.open.../riv/klicoveSlovo	domain averaged fermi holes Ga-Ga bonding
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[F2D452D2CFDA]
http://linked.open...i/riv/nazevZdroje	Organometallics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Electron pairing and chemical bonds
http://linked.open...UplatneniVysledku	2004
http://linked.open...v/svazekPeriodika	23
http://linked.open...iv/tvurceVysledku	Ponec, Robert Gironés, X. Frenking, G. Juzhakov, Gleb
http://linked.open...n/vavai/riv/zamer	Theoretical fundamentals of chemical processes: equilibrium and dynamic behavior of multiphase reacting systems
issn	0276-7333
number of pages	7 (xsd:int)

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