Adamantylidene Addition to M3N@I-h-C-80 (M=Sc, Lu) and Sc3N@D-5h-C-80: Synthesis and Crystallographic Characterization of the [5,6]-Open and [6,6]-Open Adducts

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F17%3A10368148" target="_blank" >RIV/00216208:11310/17:10368148 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1002/chem.201700049" target="_blank" >http://dx.doi.org/10.1002/chem.201700049</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/chem.201700049" target="_blank" >10.1002/chem.201700049</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Adamantylidene Addition to M3N@I-h-C-80 (M=Sc, Lu) and Sc3N@D-5h-C-80: Synthesis and Crystallographic Characterization of the [5,6]-Open and [6,6]-Open Adducts

Popis výsledku v původním jazyce

Additions of adamantylidene (Ad) to M3N@I-h-C-80 (M=Sc, Lu) and Sc3N@D-5h-C-80 have been accomplished by photochemical reactions with 2-adamantyl-2,3-[3H]-diazirine (1). In M3N@I-h-C-80, the addition led to rupture of the [6,6]- or [5,6]-bonds of the I-h-C-80 cage, forming the [6,6]-open fulleroid as the major isomer and the [5,6]-open fulleroid as the minor isomer. In Sc3N@D-5h-C-80, the addition also proceeded regioselectively to yield three major isomeric Ad mono-adducts, despite the fact that there are nine types of C-C bonds in the D-5h-C-80 cage. The molecular structures of the seven Ad mono-adducts, including the positions of the encaged trimetallic nitride clusters, have been unambiguously determined through single-crystal XRD analyses. Furthermore, results have shown that stepwise addition of Ad to Lu3N@I-h-C-80 affords several Ad bis-adducts, two of which have been isolated and characterized. The X-ray structure of one bis-adduct clearly revealed that the second Ad addition took place at a [6,6]-bond close to an endohedral metal atom. Theoretical calculations have also been performed to rationalize the regioselectivity.

Název v anglickém jazyce

Adamantylidene Addition to M3N@I-h-C-80 (M=Sc, Lu) and Sc3N@D-5h-C-80: Synthesis and Crystallographic Characterization of the [5,6]-Open and [6,6]-Open Adducts

Popis výsledku anglicky

Additions of adamantylidene (Ad) to M3N@I-h-C-80 (M=Sc, Lu) and Sc3N@D-5h-C-80 have been accomplished by photochemical reactions with 2-adamantyl-2,3-[3H]-diazirine (1). In M3N@I-h-C-80, the addition led to rupture of the [6,6]- or [5,6]-bonds of the I-h-C-80 cage, forming the [6,6]-open fulleroid as the major isomer and the [5,6]-open fulleroid as the minor isomer. In Sc3N@D-5h-C-80, the addition also proceeded regioselectively to yield three major isomeric Ad mono-adducts, despite the fact that there are nine types of C-C bonds in the D-5h-C-80 cage. The molecular structures of the seven Ad mono-adducts, including the positions of the encaged trimetallic nitride clusters, have been unambiguously determined through single-crystal XRD analyses. Furthermore, results have shown that stepwise addition of Ad to Lu3N@I-h-C-80 affords several Ad bis-adducts, two of which have been isolated and characterized. The X-ray structure of one bis-adduct clearly revealed that the second Ad addition took place at a [6,6]-bond close to an endohedral metal atom. Theoretical calculations have also been performed to rationalize the regioselectivity.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

Chemistry - A European Journal

ISSN

0947-6539

e-ISSN

—

Svazek periodika

23

Číslo periodika v rámci svazku

27

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

10

Strana od-do

6552-6561

Kód UT WoS článku

000401160100015

EID výsledku v databázi Scopus

2-s2.0-85016280520