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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

1995; Wiley; Volume: 34; Issue: 22 Linguagem: Inglês

10.1002/anie.199525071

1521-3773

Jeremy Wessel, Jesse C. Lee, Eduardo Peris, Glenn P. A. Yap, Jeffrey B. Fortin, John S. Ricci, Gjergji Sini, Alberto Albinati, Thomas F. Koetzle, Odile Eisenstein, Arnold L. Rheingold, Robert H. Crabtree,

Inorganic Fluorides and Related Compounds

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 (ΔH° = 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.