Asymmetric choreography in pairs of orthogonal rotors

Antonio Rodríguez-Fortea; Jirí Kaleta; Cećile Meziere; Magali Allain; Enric Canadell; Pawel Wzietek; Josef Michl; Patrick Batail

doi:10.1021/acsomega.7b01580

Asymmetric choreography in pairs of orthogonal rotors

Antonio Rodríguez-Fortea, Jirí Kaleta, Cećile Meziere, Magali Allain, Enric Canadell, Pawel Wzietek, Josef Michl, Patrick Batail

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12 Citations (Scopus)

Abstract

© 2018 American Chemical Society. An asymmetric mechanism for correlated motion occurring in noninteracting pairs of adjacent orthogonal 1,4-bis(carboxyethynyl)bicyclo[1.1.1]pentane (BCP) rotators 1 in the solid state is unraveled and shown to play an important role in understanding the dynamics in the crystalline rotor, Bu4N+[1−]·H2O. Single crystal X-ray diffraction and calculation of rotor− rotor interaction energies combined with variable-temperature, variable-field 1H spin−lattice relaxation experiments led to the identification and microscopic rationalization of two distinct relaxation processes.

Original language	English
Pages (from-to)	1293-1297
Journal	ACS omega
Volume	3
Issue number	1
DOIs	https://doi.org/10.1021/acsomega.7b01580
Publication status	Published - 1 Jan 2018

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10.1021/acsomega.7b01580

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abstract = "{\textcopyright} 2018 American Chemical Society. An asymmetric mechanism for correlated motion occurring in noninteracting pairs of adjacent orthogonal 1,4-bis(carboxyethynyl)bicyclo[1.1.1]pentane (BCP) rotators 1 in the solid state is unraveled and shown to play an important role in understanding the dynamics in the crystalline rotor, Bu4N+[1−]·H2O. Single crystal X-ray diffraction and calculation of rotor− rotor interaction energies combined with variable-temperature, variable-field 1H spin−lattice relaxation experiments led to the identification and microscopic rationalization of two distinct relaxation processes.",

author = "Antonio Rodr{\'i}guez-Fortea and Jir{\'i} Kaleta and Ce{\'c}ile Meziere and Magali Allain and Enric Canadell and Pawel Wzietek and Josef Michl and Patrick Batail",

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T1 - Asymmetric choreography in pairs of orthogonal rotors

AU - Rodríguez-Fortea, Antonio

AU - Kaleta, Jirí

AU - Meziere, Cećile

AU - Allain, Magali

AU - Canadell, Enric

AU - Wzietek, Pawel

AU - Michl, Josef

AU - Batail, Patrick

PY - 2018/1/1

Y1 - 2018/1/1

N2 - © 2018 American Chemical Society. An asymmetric mechanism for correlated motion occurring in noninteracting pairs of adjacent orthogonal 1,4-bis(carboxyethynyl)bicyclo[1.1.1]pentane (BCP) rotators 1 in the solid state is unraveled and shown to play an important role in understanding the dynamics in the crystalline rotor, Bu4N+[1−]·H2O. Single crystal X-ray diffraction and calculation of rotor− rotor interaction energies combined with variable-temperature, variable-field 1H spin−lattice relaxation experiments led to the identification and microscopic rationalization of two distinct relaxation processes.

AB - © 2018 American Chemical Society. An asymmetric mechanism for correlated motion occurring in noninteracting pairs of adjacent orthogonal 1,4-bis(carboxyethynyl)bicyclo[1.1.1]pentane (BCP) rotators 1 in the solid state is unraveled and shown to play an important role in understanding the dynamics in the crystalline rotor, Bu4N+[1−]·H2O. Single crystal X-ray diffraction and calculation of rotor− rotor interaction energies combined with variable-temperature, variable-field 1H spin−lattice relaxation experiments led to the identification and microscopic rationalization of two distinct relaxation processes.

U2 - 10.1021/acsomega.7b01580

DO - 10.1021/acsomega.7b01580

M3 - Article

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SP - 1293

EP - 1297

IS - 1

ER -

Asymmetric choreography in pairs of orthogonal rotors

Abstract

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