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Raman Spectrum of [Ru(CNBu<sup>t</sup>)(CO)(η<sup>2</sup>-C<sub>6</sub>H<sub>4</sub>-2-CHO)(PPh<sub>3</sub>)<sub>2</sub>][BF<sub>4</sub>]·2CDCl<sub>3</sub> Shows That the Crystallographically Determined Bifurcated Hydrogen-Bonding Interaction Cl<sub>3</sub>CD···F<sub>2</sub>BF<sub>2</sub><sup>-</sup> Is an Example of a Blue-Shifting Hydrogen Bond

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NIAID Data Ecosystem2026-03-06 收录
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Raman data suggest that a crystallographically determined Cl3CD···F2BF2- interaction in the solid-state structure of [Ru(CNBut)(CO)(η2-C6H4-2-CHO)(PPh3)2][BF4]·2CDCl3 is an example of a blue-shifting bifurcated hydrogen bond. The ν(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.

创建时间:
2016-02-28
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