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Nuclear spin conversion in NH3
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SYSNO ASEP 0336537 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Nuclear spin conversion in NH3 Title Jaderná spinová konverze v NH3 Author(s) Cacciani, P. (FR)
Cosléou, J. (FR)
Khelkhal, M. (FR)
Tudorie, M. (FR)
Puzzarini, C. (IT)
Pracna, Petr (UFCH-W)Source Title Physical Review. A. - : American Physical Society - ISSN 1050-2947
Roč. 80, č. 4 (2009), 042507Number of pages 5 s. Language eng - English Country US - United States Keywords ab initio calculation ; ammonia ; intramolecular mechanics Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects IAA400400706 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000271351000083 DOI 10.1103/PhysRevA.80.042507 Annotation The nuclear spin conversion (NSC) rate for a gas sample of NH3 is calculated in the framework of quantum relaxation model. It is based on the knowledge of the vibration-inversion levels of the lowest vibrational states, the relaxation rates, and the intramolecular magnetic interactions. The magnitudes of the spin- and spin-rotation interaction terms have been obtained with the help of ab initio calculations. The value of NSC at 296 K for a pressure of 1 Torr is 3.23 x 10−6 s−1 for 14NH3 and 9.15 x 10−6 s−1 for 15NH3. A linear dependence of the NSC rates on the pressure is valid up to 1 atm for 14NH3 and up to 30 Torr for 15NH3, where quasidegenerate ortho/para pairs are present in the excited v2=1 state. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2010
Number of the records: 1