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Statements

Subject Item
n2:RIV%2F61388980%3A_____%2F14%3A00438837%21RIV15-GA0-61388980
rdf:type
skos:Concept n17:Vysledek
dcterms:description
Density functional calculations on [(PPh3)(2)-nido-RhSB9H10] do not support the proposition that there are agostic interactions between two ortho-phenyl hydrogen atoms and the metal centre. Thus, the claim that these interactions supply the electron-pair 'missing' from the formal Wadian electron-count of 13 skeletal-electron-pairs required for a nido 11-vertex cluster is also not supported. Density functional calculations on [(PPh3)(2)-nido-RhSB9H10] do not support the proposition that there are agostic interactions between two ortho-phenyl hydrogen atoms and the metal centre. Thus, the claim that these interactions supply the electron-pair 'missing' from the formal Wadian electron-count of 13 skeletal-electron-pairs required for a nido 11-vertex cluster is also not supported.
dcterms:title
Do agostic interactions play a role in the stabilization of the nido structure of [(PPh3)(2)RhSB9H10]? Do agostic interactions play a role in the stabilization of the nido structure of [(PPh3)(2)RhSB9H10]?
skos:prefLabel
Do agostic interactions play a role in the stabilization of the nido structure of [(PPh3)(2)RhSB9H10]? Do agostic interactions play a role in the stabilization of the nido structure of [(PPh3)(2)RhSB9H10]?
skos:notation
RIV/61388980:_____/14:00438837!RIV15-GA0-61388980
n3:aktivita
n4:I n4:P
n3:aktivity
I, P(GAP207/11/1577)
n3:cisloPeriodika
JUL
n3:dodaniDat
n8:2015
n3:domaciTvurceVysledku
Bould, Jonathan
n3:druhVysledku
n16:J
n3:duvernostUdaju
n15:S
n3:entitaPredkladatele
n12:predkladatel
n3:idSjednocenehoVysledku
12015
n3:idVysledku
RIV/61388980:_____/14:00438837
n3:jazykVysledku
n5:eng
n3:klicovaSlova
Agostic; Metallaborane; Rhodathiaborane; Wade's rules; DFT; Cluster structure
n3:klicoveSlovo
n7:Rhodathiaborane n7:DFT n7:Agostic n7:Wade%27s%20rules n7:Cluster%20structure n7:Metallaborane
n3:kodStatuVydavatele
CH - Švýcarská konfederace
n3:kontrolniKodProRIV
[7AEF826B0701]
n3:nazevZdroje
Journal of Organometallic Chemistry
n3:obor
n10:CA
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
2
n3:projekt
n6:GAP207%2F11%2F1577
n3:rokUplatneniVysledku
n8:2014
n3:svazekPeriodika
761
n3:tvurceVysledku
Macias, R. Bould, Jonathan
n3:wos
000335516900016
s:issn
0022-328X
s:numberOfPages
3
n13:doi
10.1016/j.jorganchem.2014.03.018