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Tris-o-phenylenedioxycyclotriphosphazene (TPP) Inclusion Compounds Containing a Dipolar Molecular Rotor
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SYSNO ASEP 0427671 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Tris-o-phenylenedioxycyclotriphosphazene (TPP) Inclusion Compounds Containing a Dipolar Molecular Rotor Tvůrce(i) Kobr, L. (US)
Zhao, K. (US)
Shen, Y. (US)
Shoemaker, R. K. (US)
Rogers, C. T. (US)
Michl, Josef (UOCHB-X) RID, ORCIDCelkový počet autorů 6 Zdroj.dok. Crystal Growth & Design. - : American Chemical Society - ISSN 1528-7483
Roč. 14, č. 2 (2014), s. 559-568Poč.str. 10 s. Jazyk dok. eng - angličtina Země vyd. US - Spojené státy americké Klíč. slova aromatic nanochannels ; single-molecule ; dynamics Vědní obor RIV CC - Organická chemie Institucionální podpora UOCHB-X - RVO:61388963 UT WOS 000331014600023 EID SCOPUS 84893655189 DOI 10.1021/cg4013608 Anotace 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 methyl group, some of the methyl substituents are located inside the surface layer of TPP and others protrude above it. Pracoviště Ústav organické chemie a biochemie Kontakt asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434 Rok sběru 2015
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