fac-Ir(ppy)(3): Structures in the Gas-Phase and of a New Solid Modification

Berger R, Stammler H-G, Neumann B, Mitzel NW (2010)
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2010(11): 1613-1617.

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Abstract
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 (4) over bar2(1)c) has been obtained by sublimation of the compound at 385 degrees 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)72.016(2) angstrom, Ir1-N2 2.158(7)/2.130(2) angstrom; N2-Ir1-N2b 98(1)degrees/94 (2)degrees, C8-Ir1-C8b 93(1)degrees/94(2)degrees.
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Berger R, Stammler H-G, Neumann B, Mitzel NW. fac-Ir(ppy)(3): Structures in the Gas-Phase and of a New Solid Modification. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY. 2010;2010(11):1613-1617.
Berger, R., Stammler, H. - G., Neumann, B., & Mitzel, N. W. (2010). fac-Ir(ppy)(3): Structures in the Gas-Phase and of a New Solid Modification. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2010(11), 1613-1617.
Berger, R., Stammler, H. - G., Neumann, B., and Mitzel, N. W. (2010). fac-Ir(ppy)(3): Structures in the Gas-Phase and of a New Solid Modification. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2010, 1613-1617.
Berger, R., et al., 2010. fac-Ir(ppy)(3): Structures in the Gas-Phase and of a New Solid Modification. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2010(11), p 1613-1617.
R. Berger, et al., “fac-Ir(ppy)(3): Structures in the Gas-Phase and of a New Solid Modification”, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, vol. 2010, 2010, pp. 1613-1617.
Berger, R., Stammler, H.-G., Neumann, B., Mitzel, N.W.: fac-Ir(ppy)(3): Structures in the Gas-Phase and of a New Solid Modification. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY. 2010, 1613-1617 (2010).
Berger, Raphael, Stammler, Hans-Georg, Neumann, Beate, and Mitzel, Norbert W. “fac-Ir(ppy)(3): Structures in the Gas-Phase and of a New Solid Modification”. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2010.11 (2010): 1613-1617.
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