Abstract
The crystal structure of the semiclathrate hydrate of tetra-n-butylphosphonium bromide is reported, and the thermophysical property is characterized by comparison with an analogous hydrate.
Highlights
Semiclathrate hydrates are guest–host crystalline compounds that share many similarities with clathrate hydrates and are composed of water and hydrophobic substances, e.g., hydrocarbons
The orthorhombic structure of the tetra-n-butylammonium bromide (TBAB) hydrate[24] and tetra-n-butylphosphonium bromide (TBPB) hydrate in this study had 6 D cages and 76 water molecules
The ratio of water molecules to D cages in the unit cell is lower in the orthorhombic structure than in the tetragonal one, which provides the former structure with the superior gas capacity
Summary
Semiclathrate hydrates are guest–host crystalline compounds that share many similarities with clathrate hydrates and are composed of water (host) and hydrophobic substances (guest), e.g., hydrocarbons. We report the crystal structure analysis of the semiclathrate hydrate of tetra-n-butylphosphonium bromide (TBPB), which is a candidate material for refrigeration and gas-capture technologies. Refinement of the single crystal X-ray diffraction measurements revealed that the found structure of the TBPB hydrate has an orthorhombic structure, with the space group Pmma, and unit cell parameters a = 21.065(5), b = 12.657(3) and c = 11.992(3) Å.
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