Ab Initio Powder Diffraction Structure Analysis of a Host–Guest Network: Short Contacts between Tetrathiafulvalene Molecules in a Pore | Zendy

MartíRujas  Javier | Zendy; Islam Nazrul | Zendy; Hashizume Daisuke | Zendy; Izumi Fujio | Zendy; Fujita Makoto | Zendy; Song Hyun Jae | Zendy; Choi Hee Cheul | Zendy; Kawano Masaki | Zendy

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Ab Initio Powder Diffraction Structure Analysis of a Host–Guest Network: Short Contacts between Tetrathiafulvalene Molecules in a Pore

Author(s) -

MartíRujas Javier,

Islam Nazrul,

Hashizume Daisuke,

Izumi Fujio,

Fujita Makoto,

Song Hyun Jae,

Choi Hee Cheul,

Kawano Masaki

Publication year - 2011

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.201100176

Subject(s) - tetrathiafulvalene , powder diffraction , synchrotron , crystallography , diffraction , molecule , materials science , ab initio , network structure , x ray crystallography , computer science , chemistry , physics , optics , organic chemistry , theoretical computer science

Synchrotron powder XRD analysis was used to solve the crystal structure of a kinetically controlled coordination network including tetrathiafulvalene (TTF) guests, which has a large unit cell (15 729(1) Å 3 ). Very short S ⋅⋅⋅ S contacts among the TTF guests were achieved by confinement in the network pores (see picture).

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