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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).