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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) (en)
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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. (en)
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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. (en)
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skos:notation
| - RIV/61388980:_____/02:50023032!RIV/2003/AV0/A50003/N
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http://linked.open.../vavai/riv/strany
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(LN00A028), Z(AV0Z4032918)
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/61388980:_____/02:50023032
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - ab initio calculations; boranes; clusters (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - DE - Spolková republika Německo
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - European Journal of Inorganic Chemistry
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...ocetUcastnikuAkce
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http://linked.open...nichUcastnikuAkce
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Bakardjiev, Mario
- Holub, Josef
- Štíbr, Bohumil
- Hnyk, Drahomír
- Wrackmeyer, B.
- Milius, W.
- Tok, O. L.
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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