Raman spectrum of [Ru(CNBut)(CO)(2-C6H4-2-CHO)(PPh3)2][BF4].2CDCl3 shows that the crystallographically determined bifurcated hydrogen-bonding interaction Cl3CD...F2BF2- is an example of a blue-shifting hydrogen bond

Alan K Brisdon, Kevin R Flower, Robin G Pritchard

    Research output: Contribution to journalArticlepeer-review

    Abstract

    Transmetalation of [RuHCl(CO)(PPh3)2] with [Hg(????2-C6H4CHO-2-????C,????O)] gave the 2-formylphenyl ruthenium complex [RuCl(????2-C6H4CHO-2-????C,????O)(CO)(PPh3)2] (1), which upon complexation with AgBF4/tBuNC gave the cationic complex [Ru(CNtBu)Cl(????2-C6H4CHO-2-????C,????O)(CO)(PPh3)2][BF4] (2), which was characterized by x-ray structural detn. and Raman spectra. Raman data suggest that a crystallog. detd. Cl3CD????????????F2BF2- interaction in the solid-state structure of 2????2CDCl3 is an example of a blue-shifting bifurcated hydrogen bond. The ????(C-D) band blue-shifts 5 cm-1 to 2269 cm-1 compared to 2264 cm-1 for CDCl3 in the gas phase and 20 cm-1 from frozen CDCl3 at 2249 cm-1. A conventional interpretation of these band shifts would suggest that the CCl2 fragment of DCCl3 is a stronger hydrogen-bond acceptor than the BF2 fragment of a BF4- group. [on SciFinder(R)]
    Original languageEnglish
    Pages (from-to)7189-7192
    JournalInorganic Chemistry
    Volume46
    Issue number17
    Publication statusPublished - 2007

    Keywords

    • Crystal structure
    • Molecular structure (of C,O-chelate ruthenium 2-formylphenyl isocyanide cationic complex)
    • Hydrogen bond
    • Raman spectra
    • Transmetalation (prepn., Raman spectra and hydrogen bonding in crystal structure of chloroform solvate of ruthenium C,O-chelate 2-formylphenyl isocyanide cationic complex)
    • Isocyanides Role: PRP (Properties), SPN (Synthetic preparation), PREP (Preparation) (ruthenium complexes
    • prepn., Raman spectra and hydrogen bonding in crystal structure of chloroform solvate of ruthenium C,O-chelate 2-formylphenyl isocyanide cationic complex)
    • Metallacycles Role: PRP (Properties), SPN (Synthetic preparation), PREP (Preparation) (ruthenium
    • ruthenium formylphenyl isocyanide cationic complex prepn structure Raman spectra
    • hydrogen bond chloroform tetrafluoroborate ruthenium formylphenyl isocyanide cationic complex
    • crystal structure ruthenium formylphenyl isocyanide cationic complex
    • mol structure ruthenium formylphenyl isocyanide cationic complex

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