Deuterated water: partition functions and equilibrium constants期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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Deuterated water: partition functions and equilibrium constants

Authors:	Alan J Hewitt Natasha Doss Nikolai F Zobov Oleg L Polyansky Jonathan Tennyson †

Institution:	Department of Physics and Astronomy, University College London, London, WC1E 6BT

Abstract:	HDO and D₂O are thought to be present in significant quantities in the coldest regions of the Universe. Partition functions are calculated for these species and used to calculate temperature dependent equilibrium constants for the most important fractionation reactions involving water. HDO may also be a key indicator of the absence of deuterium burning in very low mass stars. The HDO partition function calculation is extended to high ( T ≤ 6000 K) temperatures for this purpose.

Keywords:	astrochemistry molecular data stars: low mass brown dwarfs ISM: general ISM: kinematics and dynamics ISM: molecules