Tris-o-phenylenedioxycyclotriphosphazene (TPP) Inclusion Compounds Containing a Dipolar Molecular Rotor

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F14%3A00427671" target="_blank" >RIV/61388963:_____/14:00427671 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1021/cg4013608" target="_blank" >http://dx.doi.org/10.1021/cg4013608</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/cg4013608" target="_blank" >10.1021/cg4013608</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Tris-o-phenylenedioxycyclotriphosphazene (TPP) Inclusion Compounds Containing a Dipolar Molecular Rotor

Popis výsledku v původním jazyce

A rod-shaped molecular rotor consisting of a p-terphenyl shaft attached to p-carborane whose antipodal position carries a dipolar 2,3-dichlorophenyl rotator forms an inclusion compound with hexagonal tris-o-phenylenedioxycyclotriphosphazene (TPP). Results of solid-state NMR spectroscopy, X-ray powder diffraction, dielectric loss spectroscopy, and density functional theory calculations lead us to propose that the whole molecule inserts into the TPP channels, with the rotator located in the outermost surface layer. Although the placement and alignment of the dipoles at the surface appear favorable, the sample does not exhibit collective behavior even at 7 K, presumably due to the relatively large barrier to rotation (similar to 8.6 kcal/mol). In incompletely annealed samples of the inclusion compound, some of the rotators protrude outside the surface and have a rotational barrier of similar to 3.4 kcal/mol. In the inclusion compound of an analog in which the rotator is replaced with a me

Název v anglickém jazyce

Tris-o-phenylenedioxycyclotriphosphazene (TPP) Inclusion Compounds Containing a Dipolar Molecular Rotor

Popis výsledku anglicky

A rod-shaped molecular rotor consisting of a p-terphenyl shaft attached to p-carborane whose antipodal position carries a dipolar 2,3-dichlorophenyl rotator forms an inclusion compound with hexagonal tris-o-phenylenedioxycyclotriphosphazene (TPP). Results of solid-state NMR spectroscopy, X-ray powder diffraction, dielectric loss spectroscopy, and density functional theory calculations lead us to propose that the whole molecule inserts into the TPP channels, with the rotator located in the outermost surface layer. Although the placement and alignment of the dipoles at the surface appear favorable, the sample does not exhibit collective behavior even at 7 K, presumably due to the relatively large barrier to rotation (similar to 8.6 kcal/mol). In incompletely annealed samples of the inclusion compound, some of the rotators protrude outside the surface and have a rotational barrier of similar to 3.4 kcal/mol. In the inclusion compound of an analog in which the rotator is replaced with a me

Druh

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

CEP obor

CC - Organická chemie

OECD FORD obor

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Projekt

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Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2014

Kód důvěrnosti údajů

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

Název periodika

Crystal Growth & Design

ISSN

1528-7483

e-ISSN

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Svazek periodika

14

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

559-568

Kód UT WoS článku

000331014600023

EID výsledku v databázi Scopus

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