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.
Instrument
J-720
Keywords
Circular dichroism, Stereochemistry, Inorganic chemistry