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An Unconventional Intermolecular Three‐Center N–H …︁ H 2 Re Hydrogen Bond in Crystalline [ReH 5 (PPh 3 ) 3 ]·indole·C 6 H 6
Author(s) -
Wessel Jeremy,
Lee Jesse C.,
Peris Eduardo,
Yap Glenn P. A.,
Fortin Jeffrey B.,
Ricci John S.,
Sini Gjergji,
Albinati Alberto,
Koetzle Thomas F.,
Eisenstein Odile,
Rheingold Arnold L.,
Crabtree Robert H.
Publication year - 1995
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199525071
Subject(s) - rhenium , crystallography , hydrogen bond , indole test , benzene , neutron diffraction , chemistry , intermolecular force , crystal structure , center (category theory) , hydrogen , infrared spectroscopy , spectroscopy , stereochemistry , molecule , inorganic chemistry , physics , organic chemistry , quantum mechanics
Three hydrogen atoms participate in the unusual hydrogen bond in complex 1 , which is obtained when the rhenium compound is cocrystallized with indole from benzene. The structure of 1 was elucidated by means of neutron diffraction (HN … HM distances of 1.75 and 2.25 Å). The energy of the hydrogen bond was determined by IR spectroscopy (Δ H ° = 4.3 ± 0.5 kcal mol −1 ). All these values were also reproduced by theoretical calculations. Indole may be a useful additive for crystal growing in general.