A Discrete Chloride Monohydrate: A Solid-State Structural and Spectroscopic Characterization.
Mohammed S AbdelbassitOwen J CurnowEugen LibowitzkyRoss O PiltzMatthew I J PolsonPublished in: The journal of physical chemistry. A (2020)
The solid-state structure of a discrete chloride monohydrate species, [Cl(H2O)]-, is reported for the first time. It was isolated as a salt of the tris(dipropylamino)cyclopropenium cation and has been structurally characterized by X-ray and neutron diffraction. Infrared (IR), far-infrared, and Raman spectroscopic studies were also carried out. Additionally, the D2O and HDO isotopomers were investigated. Of the six fundamental vibrational modes, only the out-of-plane bend ν3 was not observed as it forms an IR- and Raman-inactive local mode phonon.
Keyphrases
- solid state
- molecular docking
- raman spectroscopy
- molecular dynamics simulations
- high resolution
- electron microscopy
- label free
- ionic liquid
- density functional theory
- atomic force microscopy
- dual energy
- magnetic resonance imaging
- computed tomography
- energy transfer
- crystal structure
- magnetic resonance
- genetic diversity