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

By Kazuyoshi Takimoto, Yutaka Watanabe, Shigeki Mori Hisako Sato

July 28, 2017

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Title

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

Author

Kazuyoshi Takimoto, Yutaka Watanabe, Shigeki Mori Hisako Sato

Year

2017

Journal

Dalton Transactions

Abstract

Vibrational circular dichroism (VCD) spectra were measured on the 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 was determined by comparing the experimental and theoretical spectra. The conclusion was in accord with the results of X-ray single crystallographic analysis on the enantiomeric crystal. Moreover the importance of CH- interaction was derived between phen and a hydrogen atom in bzq in the molecular packing of both enantiomeric and racemic crystals. The helical column was formed in the enantiomeric crystal in the tetragonal space group P43 while the tight racemic pair was formed in the racemic crystal in the monoclinic space group P21/n.

Full Article

http://pubs.rsc.org/-/content/articlelanding/2017/dt/c7dt00606c

Instrument

J-720

Keywords

Circular dichroism, Stereochemistry, Inorganic chemistry