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Issue 13, 2017
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Vibrational circular dichroism and single crystal X-Ray diffraction analyses of [Ir(bzq)2(phen)]+ (bzq = benzo[h]quinoline; phen = 1,10-phenanthroline): absolute configuration and role of CH–π interaction in molecular packing

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Abstract

Vibrational circular dichroism (VCD) spectra are measured for dichloromethane solutions of the resolved enantiomers of [Ir(bzq)2(phen)]+ (bzqH = benzo[h]quinoline; phen = 1,10-phenanthroline). The absolute configuration of each enantiomer is determined by comparing the experimental and theoretical spectra. The result is in accord with the results of the X-ray single crystallographic analysis on the enantiomeric crystal. Moreover, the importance of the CH–π interaction is derived between phen and a hydrogen atom in bzq in the molecular packing of both the enantiomeric and racemic crystals. A helical column is formed in the enantiomeric crystal in the tetragonal space group P43, whereas a tight racemic pair is formed in the racemic crystal in the monoclinic space group P21/n.

Graphical abstract: Vibrational circular dichroism and single crystal X-Ray diffraction analyses of [Ir(bzq)2(phen)]+ (bzq = benzo[h]quinoline; phen = 1,10-phenanthroline): absolute configuration and role of CH–π interaction in molecular packing

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Publication details

The article was received on 18 Feb 2017, accepted on 02 Mar 2017 and first published on 03 Mar 2017


Article type: Paper
DOI: 10.1039/C7DT00606C
Citation: Dalton Trans., 2017,46, 4397-4402
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    Vibrational circular dichroism and single crystal X-Ray diffraction analyses of [Ir(bzq)2(phen)]+ (bzq = benzo[h]quinoline; phen = 1,10-phenanthroline): absolute configuration and role of CH–π interaction in molecular packing

    K. Takimoto, Y. Watanabe, S. Mori and H. Sato, Dalton Trans., 2017, 46, 4397
    DOI: 10.1039/C7DT00606C

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