Syntéza a přesmyky aminosubstituovaných ferra- a ruthenatrikarbaboranů

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388980%3A_____%2F05%3A00029900" target="_blank" >RIV/61388980:_____/05:00029900 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Synthesis and rearrangements of aminosubstituted ferra- and ruthenatricarbaboranes

Popis výsledku v původním jazyce

A room-temperature reaction between the [7-(BuNH)-Bu-t-nido-7,8,9-C3B8H10](-) anion (1a) and [Cp*RUCl](4) leads to the ruthenatricarbollide [1-Cp*-12-(BuNH)-Bu-t-1,2,4,12-RUC3B8H10] (2) (yield 85%). Analogously, the room-temperature photochemical reaction of la with [CpFe(C6H6)]PF6 gives the previously reported iron complex [1-Cp-12-(BuNH)-Bu-t-1,2,4,12-FeC3B8H10] (3) (yield 82%). Both reactions are associated with extensive polyhedral rearrangement, which occurs under very mild conditions and brings the carbon atoms to positions of maximum separation within the framework. Density functional theory calculations at the B3LYP/SDD level were used to estimate relative stabilities of these metallacarborane isomers. The structure of 2 was established by an X-ray diffraction study, and the constitution of all compounds was determined unambiguously by multinuclear NMR spectroscopy, mass spectrometry, and elemental analyses.

Název v anglickém jazyce

Synthesis and rearrangements of aminosubstituted ferra- and ruthenatricarbaboranes

Popis výsledku anglicky

A room-temperature reaction between the [7-(BuNH)-Bu-t-nido-7,8,9-C3B8H10](-) anion (1a) and [Cp*RUCl](4) leads to the ruthenatricarbollide [1-Cp*-12-(BuNH)-Bu-t-1,2,4,12-RUC3B8H10] (2) (yield 85%). Analogously, the room-temperature photochemical reaction of la with [CpFe(C6H6)]PF6 gives the previously reported iron complex [1-Cp-12-(BuNH)-Bu-t-1,2,4,12-FeC3B8H10] (3) (yield 82%). Both reactions are associated with extensive polyhedral rearrangement, which occurs under very mild conditions and brings the carbon atoms to positions of maximum separation within the framework. Density functional theory calculations at the B3LYP/SDD level were used to estimate relative stabilities of these metallacarborane isomers. The structure of 2 was established by an X-ray diffraction study, and the constitution of all compounds was determined unambiguously by multinuclear NMR spectroscopy, mass spectrometry, and elemental analyses.

Druh

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

CEP obor

CA - Anorganická chemie

OECD FORD obor

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Projekt

<a href="/cs/project/GA203%2F05%2F2646" target="_blank" >GA203/05/2646: Derivatizace ferratrikarbollidů</a><br>

Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2005

Kód důvěrnosti údajů

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

Název periodika

Inorganic Chemistry

ISSN

0020-1669

e-ISSN

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Svazek periodika

44

Číslo periodika v rámci svazku

6

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

5

Strana od-do

1655-1659

Kód UT WoS článku

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EID výsledku v databázi Scopus

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