In:
Chinese Journal of Chemistry, Wiley, Vol. 40, No. 16 ( 2022-08-15), p. 1917-1923
Kurzfassung:
As an extended model of conventional molecular rotors, a conceived construction of novel crystalline molecular rotor that simultaneously contains two discrete polar rotators is presented here. The supramolecular self‐assembly of 18‐crown‐6 host and two rotator‐containing ion‐pair guests affords a three‐in‐one cocrystal, (2‐NH 3 ‐ i BuOH)(18‐crown‐6)[ZnBr 3 (H 2 O)], in which the hydroxyl group and aqua ligand both function as ultrasmall polar rotators. On the basis of the variable‐temperature single‐crystal X‐ray diffraction, variable‐temperature/frequency dielectric response, density functional theory calculations, and molecular dynamics simulations, it is found that such dual polar rotators experience a gradually enhanced rotat ion with increasing temperature, and more importantly, could be controlled by a reversible polar‐to‐polar structural phase transition, i.e. , from a “single‐(polar rotator)” state at low‐temperature phase to a “mixed‐dual‐(polar rotator)” state in the vicinity of transition, and to an unusual “synchronized‐dual‐(polar rotator)” state at high‐temperature phase.
Materialart:
Online-Ressource
ISSN:
1001-604X
,
1614-7065
DOI:
10.1002/cjoc.202200212
Sprache:
Englisch
Verlag:
Wiley
Publikationsdatum:
2022
ZDB Id:
2144352-X
SSG:
6,25
Permalink