Potential function model of hydrogen bonded sulfur systems

Autor: J.N. Spencer, H.D. Schreiber, W.R. Snyder
Rok vydání: 1973
Předmět:
Zdroj: Spectrochimica Acta Part A: Molecular Spectroscopy. 29:1225-1232
ISSN: 0584-8539
DOI: 10.1016/0584-8539(73)80185-0
Popis: The Schroeder-Lippincott potential function model of the hydrogen bond has been used to study the properties of O-H⋯O, O⋯H ⋯ S, S-H⋯O, S-H⋯S inter and intra molecular hydrogen bonds. This model predicts comparable inter molecular bond strengths and frequency shifts for O-H⋯O and O-H⋯S, although intra molecular bonded O-H⋯S bond strengths and frequency shifts will be larger than those of the O-H⋯O bond. S-H⋯O and S-H⋯S inter and intra hydrogen bonds are weaker than O-H⋯S, but intra molecular S-H⋯O bonds are comparable in bond strength to OH⋯O intra bonds. The theoretical predictions have been compared to experimental results when available.
Databáze: OpenAIRE