An unexpected rearrangement of carbon vertexes in the tricarbollide series. Asymmetrical 7-aryl-nido-7,8,9-C3B8H11 derivatives

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388980%3A_____%2F16%3A00456958" target="_blank" >RIV/61388980:_____/16:00456958 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216275:25310/16:39901646

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.jorganchem.2016.01.006" target="_blank" >http://dx.doi.org/10.1016/j.jorganchem.2016.01.006</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.jorganchem.2016.01.006" target="_blank" >10.1016/j.jorganchem.2016.01.006</a>

Jazyk výsledku

angličtina

Název v původním jazyce

An unexpected rearrangement of carbon vertexes in the tricarbollide series. Asymmetrical 7-aryl-nido-7,8,9-C3B8H11 derivatives

Popis výsledku v původním jazyce

Thermal rearrangement of the Na+[8-R-nido-7,8,9-C3B8H10] salts (R = Ph, p-tol, and 2-naph = 2-napthhyl), followed by protonation with conc. H2SO4, proceeds via an unexpected 8 7 rearrangement of the cluster RC unit under the formation of the neutral 7-R-nido-7,8,9-C3B8H11 tricarbollides. A C-vertex swing mechanism, involving an unstable 2,7,8-intermediate, was proposed for this rearrangement and substantiated via MP2/6-31G*calculations. Removal of the bridging hydrogen from 7-R-nido-7,8,9-C3B8H11 with Et3N leads to the Et3NH+ salts of the corresponding [7-R-nido-7,8,9-C3B8H10] anions. All the compounds isolated were characterized by multinuclear (11B, 1H, and 13C) NMR spectroscopy and the structures of the simplest 7-Me derivatives were optimized at the MP2/6-31G*level of theory, the structures being verified by GIAO-MP2 computations. The structure of the starting 8-(p-tol)-nido-7,8,9-C3B8H11 was determined by an X-ray diffraction study.

Název v anglickém jazyce

An unexpected rearrangement of carbon vertexes in the tricarbollide series. Asymmetrical 7-aryl-nido-7,8,9-C3B8H11 derivatives

Popis výsledku anglicky

Thermal rearrangement of the Na+[8-R-nido-7,8,9-C3B8H10] salts (R = Ph, p-tol, and 2-naph = 2-napthhyl), followed by protonation with conc. H2SO4, proceeds via an unexpected 8 7 rearrangement of the cluster RC unit under the formation of the neutral 7-R-nido-7,8,9-C3B8H11 tricarbollides. A C-vertex swing mechanism, involving an unstable 2,7,8-intermediate, was proposed for this rearrangement and substantiated via MP2/6-31G*calculations. Removal of the bridging hydrogen from 7-R-nido-7,8,9-C3B8H11 with Et3N leads to the Et3NH+ salts of the corresponding [7-R-nido-7,8,9-C3B8H10] anions. All the compounds isolated were characterized by multinuclear (11B, 1H, and 13C) NMR spectroscopy and the structures of the simplest 7-Me derivatives were optimized at the MP2/6-31G*level of theory, the structures being verified by GIAO-MP2 computations. The structure of the starting 8-(p-tol)-nido-7,8,9-C3B8H11 was determined by an X-ray diffraction study.

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/GAP207%2F11%2F0705" target="_blank" >GAP207/11/0705: Arenové komplexy železa modikované karborany</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2016

Kód důvěrnosti údajů

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

Název periodika

Journal of Organometallic Chemistry

ISSN

0022-328X

e-ISSN

—

Svazek periodika

805

Číslo periodika v rámci svazku

MAR

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

5

Strana od-do

117-121

Kód UT WoS článku

000369686400017

EID výsledku v databázi Scopus

2-s2.0-84957018652