Shape-selective crystallisation of fluxional carbon cages

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F18%3A43915822" target="_blank" >RIV/60461373:22310/18:43915822 - isvavai.cz</a>

Result on the web

<a href="https://pubs.rsc.org/en/content/articlelanding/2018/sc/c8sc04303e#!divAbstract" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2018/sc/c8sc04303e#!divAbstract</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/c8sc04303e" target="_blank" >10.1039/c8sc04303e</a>

Result language

angličtina

Original language name

Shape-selective crystallisation of fluxional carbon cages

Original language description

Dynamic covalent rearrangements of fluxional carbon cages, such as bullvalenes and barbaralanes, impart shapeshifting&apos; molecular properties. Here, a series of five barbaralanes each interconvert dynamically between two constitutional isomers in solution, but resolve to single isomers upon crystallisation. Unexpectedly, the minor solution-phase isomers are resolved in two instances. Through dynamic NMR, crystallographic and DFT analyses, we show that the isomer observed in the solid state is not a direct consequence of the equilibrium distribution in solution or any specific noncovalent interactions. Rather, the dynamic preferential crystallisation is dictated by differences in molecular size and shape.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10402 - Inorganic and nuclear chemistry

Project

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Continuities

O - Projekt operacniho programu

Publication year

2018

Confidentiality

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

Name of the periodical

Chemical Science

ISSN

2041-6520

e-ISSN

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Volume of the periodical

9

Issue of the periodical within the volume

46

Country of publishing house

GB - UNITED KINGDOM

Number of pages

7

Pages from-to

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UT code for WoS article

000451533000001

EID of the result in the Scopus database

2-s2.0-85057547979