# THE ACCURATE DETERMINATION OF MAGNETIC HYPERFINE AND ZEEMAN PARAMETERS FOR $^{2}\Pi$ DIATOMIC MOLECULES FROM EXPERIMENTAL DATA

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 Title: THE ACCURATE DETERMINATION OF MAGNETIC HYPERFINE AND ZEEMAN PARAMETERS FOR $^{2}\Pi$ DIATOMIC MOLECULES FROM EXPERIMENTAL DATA Creators: Tamassia, Filippo; Brown, J. M.; Watson, J. K. G. Issue Date: 2002 Publisher: Ohio State University Abstract: The Hamiltonian for a $^{2}\Pi$ state of a diatomic molecule has an indeterminacy between the parameters $\gamma$ and $A_{D}$, which can be removed by a unitary transformation to give either an effective $\tilde{\gamma}$ with $\tilde{A}_{D} = 0$ or an effective $\tilde{A}_{D}$ with $\tilde{\gamma} = 0.^{a}$ The present work extends this transformation to the magnetic hyperfine and Zeeman terms in the Hamiltonian. Among the hyperfine contributions, the term bI.S is particularly affected by the transformation. Care is therefore required in relating the observed value $\tilde{b}$ to the electron spin density. Similar considerations apply to observed Zeeman parameters. Applications to the spectra of $NO^{b}$ and $FO^{c}$ will be presented. Description: $^{a}$J. M. Brown and J. K. G. Watson, J. Mol. Spectrosc. 65, 65 (1977). $^{b}$T. D. Varberg, F. Stroh, and K. M. Evenson, J. Mol. Spectrosc. 196, 5 (1999). $^{c}$F. Tamassia, J. M. Brown, and K. M. Evenson, J. Chem. Phys. 110, 7273 (1999). Author Institution: Dipartimento di Chimica Fisica ed Inorganica, Facolt\'a di Chimica Industriale, Universit\'a di Bologna; The Physical and Theoretical Chemistry Laboratory, Universit\'a di Bologna; Steacie Institute for Molecular Sciences, National Research Council of Canada URI: http://hdl.handle.net/1811/20689 Other Identifiers: 2002-WG-12