Halogen Bonds

作者：Wu, Mengling; Li, Ming; Yuan, Liangqian; Pan, Fangfang^*

来源：Crystal Growth and Design, 2022.

DOI：10.1021/acs.cgd.1c01011

• X-RAY
• TEMPERATURE
• POROSITY
• DESIGN
• TOOLS

Tris(pentafluorophenyl)phosphine molecules in a new phase pack to form hourglass-shaped one-dimensional channels, whose inner surface is occupied by only fluorine. The channels show an effective diameter of 3.80 & ANGS; at the belly and only 2.68 & ANGS; at the neck, neither being possible for the encapsulation of any solvent molecules or for the permeability of air (N2 and O2), thus demonstrating an absolute vacuum. Such "vacuum " channels in the crystals have never been reported and would be of great significance in photo-and electrophysics. In addition, the structural analysis indicated that F & BULL;& BULL;& BULL;F contacts and F & BULL;& BULL;& BULL;7r interactions are mainly responsible for the specific packing in the new phase, and a sigma-hole-type attraction is found in both F & BULL;& BULL;& BULL;F and F & BULL;& BULL;& BULL;7r forces according to the DFT computations.