Ratchet-free solid-state inertial rotation of a guest ball in a tight tubular host

Nature Communications
Taisuke MatsunoHiroyuki Isobe

Abstract

Dynamics of molecules in the solid state holds promise for connecting molecular behaviors with properties of bulk materials. Solid-state dynamics of [60]fullerene (C60) is controlled by intimate intermolecular contacts and results in restricted motions of a ratchet phase at low temperatures. Manipulation of the solid-state dynamics of fullerene molecules is thus an interesting yet challenging problem. Here we show that a tubular host for C60 liberates the solid-state dynamics of the guest from the motional restrictions. Although the intermolecular contacts between the host and C60 were present to enable a tight association with a large energy gain of -14 kcal mol-1, the dynamic rotations of C60 were simultaneously enabled by a small energy barrier of +2 kcal mol-1 for the reorientation. The solid-state rotational motions reached a non-Brownian, inertial regime with an extremely rapid rotational frequency of 213 GHz at 335 K.

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Citations

Jan 29, 2019·Chemistry : a European Journal·Shinji Toyota, Eiji Tsurumaki
Jun 14, 2019·Angewandte Chemie·Youzhi Xu, Max von Delius
Nov 30, 2019·Chemistry, an Asian Journal·Taisuke MatsunoHiroyuki Isobe
Mar 25, 2020·Chemistry : a European Journal·Jeff M Van RadenRamesh Jasti
Dec 15, 2018·Angewandte Chemie·Zhe SunHiroyuki Isobe
Jul 20, 2019·Science·Jeff M Van Raden, Ramesh Jasti
Oct 28, 2019·Frontiers in Chemistry·Dapeng LuPingwu Du
Mar 12, 2021·Nature Communications·Taisuke MatsunoHiroyuki Isobe
Aug 27, 2021·Nature Communications·Taisuke MatsunoHiroyuki Isobe

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Methods Mentioned

BETA
X-ray
nuclear magnetic resonance
NMR

Software Mentioned

DFIX
SIMU
SWAT
Yadokari
XG
CrystalExplorer
SHELXL
XDS
COOT

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