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Statements

Subject Item
n2:RIV%2F61388980%3A_____%2F02%3A50023032%21RIV%2F2003%2FAV0%2FA50003%2FN
rdf:type
n11:Vysledek skos:Concept
dcterms:description
The reaction of the carborane nido-5,6-C2B8H12 (1) with PCl3 in dichloromethane in the presence of a 'proton sponge' [PS = 1,8-bis(dimethylamino)naphthalene], followed by hydrolysis of the reaction mixture, resulted in the isolation of the eleven-vertex nido-phosphadicarbaboranes 7,8,9-PC2B8H11 (2) and 10-Cl-7,8,9-PC2B8H10 (10-Cl-2), depending on the ratio of the reactants. Both of these compounds can be deprotonated by PS to give the nido anions [7,8,9PC(2)B(8)H(10)](-) (2-) and [10-Cl-7,8,9-PC2B8H9](-) (10-Cl-2(-)). The molecular geometries of all compounds were optimized by ab initio methods at a correlated level of theory [RMP2(fc)] using the 6-31G* basis set and their correctness was assessed by a comparison of the experimental B-11 NMR chemical shifts with those calculated by the GIAO-SCF/II//RMP2(fc)/6-31G* method. Moreover, the structure of 10-Cl-2(-) was determined by an X-ray diffraction analysis. The anionic compounds 2(-) and 10-Cl-2(-) are analogs of the Cp (Cp = eta(5)-C5H5-) anion. ((C) The reaction of the carborane nido-5,6-C2B8H12 (1) with PCl3 in dichloromethane in the presence of a 'proton sponge' [PS = 1,8-bis(dimethylamino)naphthalene], followed by hydrolysis of the reaction mixture, resulted in the isolation of the eleven-vertex nido-phosphadicarbaboranes 7,8,9-PC2B8H11 (2) and 10-Cl-7,8,9-PC2B8H10 (10-Cl-2), depending on the ratio of the reactants. Both of these compounds can be deprotonated by PS to give the nido anions [7,8,9PC(2)B(8)H(10)](-) (2-) and [10-Cl-7,8,9-PC2B8H9](-) (10-Cl-2(-)). The molecular geometries of all compounds were optimized by ab initio methods at a correlated level of theory [RMP2(fc)] using the 6-31G* basis set and their correctness was assessed by a comparison of the experimental B-11 NMR chemical shifts with those calculated by the GIAO-SCF/II//RMP2(fc)/6-31G* method. Moreover, the structure of 10-Cl-2(-) was determined by an X-ray diffraction analysis. The anionic compounds 2(-) and 10-Cl-2(-) are analogs of the Cp (Cp = eta(5)-C5H5-) anion. ((C)
dcterms:title
Phosphacarborane chemistry: The synthesis of the parent phosphadicarbaboranes nido-7,8,9-PC2B8H11 and [nido-7,8,9-PC2B8H10](-), and their 10-Cl derivatives - Analogs of the cyclopentadienide anion. Phosphacarborane chemistry: The synthesis of the parent phosphadicarbaboranes nido-7,8,9-PC2B8H11 and [nido-7,8,9-PC2B8H10](-), and their 10-Cl derivatives - Analogs of the cyclopentadienide anion.
skos:prefLabel
Phosphacarborane chemistry: The synthesis of the parent phosphadicarbaboranes nido-7,8,9-PC2B8H11 and [nido-7,8,9-PC2B8H10](-), and their 10-Cl derivatives - Analogs of the cyclopentadienide anion. Phosphacarborane chemistry: The synthesis of the parent phosphadicarbaboranes nido-7,8,9-PC2B8H11 and [nido-7,8,9-PC2B8H10](-), and their 10-Cl derivatives - Analogs of the cyclopentadienide anion.
skos:notation
RIV/61388980:_____/02:50023032!RIV/2003/AV0/A50003/N
n3:strany
2320;2326
n3:aktivita
n6:P n6:Z
n3:aktivity
P(LN00A028), Z(AV0Z4032918)
n3:cisloPeriodika
9
n3:dodaniDat
n9:2003
n3:domaciTvurceVysledku
n14:1509640 n14:8606862 n14:2449285 n14:2495074
n3:druhVysledku
n17:J
n3:duvernostUdaju
n12:S
n3:entitaPredkladatele
n15:predkladatel
n3:idSjednocenehoVysledku
658173
n3:idVysledku
RIV/61388980:_____/02:50023032
n3:jazykVysledku
n18:eng
n3:klicovaSlova
ab initio calculations; boranes; clusters
n3:klicoveSlovo
n4:ab%20initio%20calculations n4:boranes n4:clusters
n3:kodStatuVydavatele
DE - Spolková republika Německo
n3:kontrolniKodProRIV
[F84951CCD687]
n3:nazevZdroje
European Journal of Inorganic Chemistry
n3:obor
n16:CA
n3:pocetDomacichTvurcuVysledku
4
n3:pocetTvurcuVysledku
7
n3:pocetUcastnikuAkce
0
n3:pocetZahranicnichUcastnikuAkce
0
n3:projekt
n5:LN00A028
n3:rokUplatneniVysledku
n9:2002
n3:svazekPeriodika
N/A
n3:tvurceVysledku
Štíbr, Bohumil Hnyk, Drahomír Wrackmeyer, B. Holub, Josef Tok, O. L. Milius, W. Bakardjiev, Mario
n3:zamer
n13:AV0Z4032918
s:issn
1434-1948
s:numberOfPages
7