Rotation of Water in Solid Parahydrogen and Orthodeuterium

Autor:	Bengt Nelander, J Ceponkus, Per Uvdal
Rok vydání:	2010
Předmět:	Hydrogen chemistry.chemical_element Rotation Spin isomers of hydrogen Spectral line Isotopic composition Matrix (mathematics) Deuterium chemistry Physics::Atomic and Molecular Clusters Molecule Physical and Theoretical Chemistry Atomic physics Physics::Atmospheric and Oceanic Physics
Zdroj:	The Journal of Physical Chemistry A. 114:12979-12985
ISSN:	1520-5215 1089-5639
DOI:	10.1021/jp105303z
Popis:	The far-infrared spectra of solid orthodeuterium and solid normal deuterium are presented and compared to the corresponding spectra of solid parahydrogen and solid normal hydrogen. Spectra of water in orthodeuterium are compared to spectra of water in parahydrogen. The water rotation constants in orthodeuterium are approximately 80% of the rotation constants of water in parahydrogen. The S(0)(0) band of orthodeuterium gets a strong satellite in the presence of water. The position and width of the satellite depends on the isotopic composition of the water present. If there is a corresponding satellite in parahydrogen it is weak and closer to the S(0)(0) band of the matrix. The conclusion of the paper is that interaction between guest rotation and the rotation of matrix molecules must be taken into account to explain the reduction of the rotation constants in orthodeuterium.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::543e671e44f4755ca555143bd5ae9adb https://doi.org/10.1021/jp105303z Zobrazit plný text záznamu