Influence of Molecular Oxygen on Ortho-Para Conversion of Water Molecules

• Published in: Russian physics journal Vol. 60; no. 3; pp. 485 - 493
• Main Authors: Valiev, R. R., Minaev, B. F.
• Format: Journal Article
• Language: English
• Published: New York Springer US 01-07-2017; Springer; Springer Nature B.V
• Subjects: Catalysis; Condensed Matter Physics; Conversion; Dimers; Electron spin; Hadrons; Heavy Ions; Lasers; Magnetic fields; Magnetic properties; Magnetism; Magnetization; Mathematical and Computational Physics; Nuclear Physics; Nuclear spin; Optical Devices; Optics; Oxygen; Photonics; Physics; Physics and Astronomy; Quantum chemistry; Theoretical; Water chemistry; Wave functions; quantum chemistry; magnetism; magnetic properties of molecules; oxygen; aqueous cluster
• ISSN: 1064-8887; 1573-9228
• DOI: 10.1007/s11182-017-1098-3

The mechanism of influence of molecular oxygen on the probability of ortho-para conversion of water molecules and its relation to water magnetization are considered within the framework of the concept of paramagnetic spin catalysis. Matrix elements of the hyperfine ortho-para interaction via the Fermi contact mechanism are calculated, as well as the Maliken spin densities on water protons in H
2
O and O
2
collisional complexes. The mechanism of penetration of the electron spin density into the water molecule due to partial spin transfer from paramagnetic oxygen is considered. The probability of ortho-para conversion of the water molecules is estimated by the quantum chemistry methods. The results obtained show that effective ortho-para conversion of the water molecules is possible during the existence of water-oxygen dimers. An external magnetic field affects the ortho-para conversion rate given that the wave functions of nuclear spin sublevels of the water protons are mixed in the complex with oxygen.