Orientational Correlations in the Glacial State of Triphenyl Phosphite

Autor:	Prasanna S. Ghalsasi, Q. Mei, Chris J. Benmore, Jeffery L. Yarger, Siewenie Je
Rok vydání:	2006
Předmět:	Diffraction Hydrogen bond Inorganic chemistry Intermolecular force Triphenyl phosphite Reverse Monte Carlo Antiparallel (biochemistry) Ring (chemistry) Surfaces Coatings and Films chemistry.chemical_compound Crystallography chemistry Materials Chemistry Molecule Physical and Theoretical Chemistry
Zdroj:	The Journal of Physical Chemistry B. 110:9747-9750
ISSN:	1520-5207 1520-6106
DOI:	10.1021/jp060692z
Popis:	Spallation neutron and high-energy X-ray diffraction experiments have been performed to investigate the local structure of the glacial and supercooled liquid states in triphenyl phosphite. The observed diffraction patterns have been interpreted using a Reverse Monte Carlo modeling technique. The results show that the glacial state forms unusually weak intermolecular hydrogen bonds between an oxygen atom connected to a phenyl ring and an adjacent phenyl ring aligned in an approximately antiparallel configuration. The structure is very different from the hexagonal crystal which is characterized by two weaker hydrogen bonds between linear arrays of molecules which are offset from each other and packed in a hexamer arrangement.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::18384328e850eb7994bb3cab956a5339 https://doi.org/10.1021/jp060692z Zobrazit plný text záznamu