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Phys. Rev. A 80, 042507 (2009) [10 pages]

Nuclear spin conversion in NH3

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P. Cacciani*, J. Cosléou, M. Khelkhal, and M. Tudorie
Laboratoire de Physique des Lasers, Atomes et Molécules, Centre d’Etudes et de Recherches Lasers et Applications (CERLA), Université Lille 1, 59655 Villeneuve d’Ascq Cedex, France

C. Puzzarini
Dipartimento di Chimica “G. Ciamician,” Università di Bologna, via Selmi 2, 40126 Bologna, Italy

P. Pracna
J. Heyrovsky Institute of Physical Chemistry, v.v.i., Academy of Sciences of the Czech Republic, 182 23 Prague 8, Czech Republic

Received 9 June 2009; published 14 October 2009

The nuclear spin conversion (NSC) rate for a gas sample of NH3 is calculated in the framework of the 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-spin and spin-rotation interaction terms have been obtained with the help of ab initio calculations. The value of the NSC at 296 K for a pressure of 1 Torr is 3.23×10−6 s−1 for 14NH3 and 9.15×10−6 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 ν2=1 state.

© 2009 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.80.042507
DOI:
10.1103/PhysRevA.80.042507
PACS:
33.15.−e, 31.30.Gs, 34.90.+q

*patrice.cacciani@univ-lille1.fr