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fac ‐Ir(ppy) 3 : Structures in the Gas‐Phase and of a New Solid Modification
Author(s) -
Berger Raphael J. F.,
Stammler HansGeorg,
Neumann Beate,
Mitzel Norbert W.
Publication year - 2010
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201000125
Subject(s) - chemistry , sublimation (psychology) , monoclinic crystal system , gas phase , crystallography , electron diffraction , solid state , diffraction , crystal structure , psychology , physics , optics , psychotherapist
The structure of fac ‐Ir(ppy) 3 has been determined in the gas phase by means of electron diffraction. A new modification (space group P $\bar {4}$ 2 1 c ) has been obtained by sublimation of the compound at 385 °C and its structure been determined by X‐ray diffraction. Concerning the importance of fac ‐Ir(ppy) 3 as triplet emitter in OLED devices, and the fact that the relevant layers most of these are generated via gas phase deposition techniques the new structures are of high relevance. They mark an improvement to an earlier solid‐state structure determination of a monoclinic modification yielded by crystallisation from solution. Selected structural parameters are (gas/solid): Ir1–C8 2.033(6)/2.016(2) Å, Ir1–N2 2.158(7)/2.130(2) Å; N2–Ir1–N2b 98(1)°/94(2)°, C8–Ir1–C8b 93(1)°/94(2)°.