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.

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388980%3A_____%2F02%3A50023032" target="_blank" >RIV/61388980:_____/02:50023032 - isvavai.cz</a>

Výsledek na webu

—

DOI - Digital Object Identifier

—

Jazyk výsledku

angličtina

Název v původním jazyce

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.

Popis výsledku v původním jazyce

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-vertexnido-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)-C5

Název v anglickém jazyce

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.

Popis výsledku anglicky

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-vertexnido-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)-C5

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CA - Anorganická chemie

OECD FORD obor

—

Projekt

<a href="/cs/project/LN00A028" target="_blank" >LN00A028: Nové a perspektivní anorganické sloučeniny a materiály</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2002

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

European Journal of Inorganic Chemistry

ISSN

1434-1948

e-ISSN

—

Svazek periodika

N/A

Číslo periodika v rámci svazku

9

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

7

Strana od-do

2320-2326

Kód UT WoS článku

—

EID výsledku v databázi Scopus

—