HYPERFINE AND ZERO-FIELD SPLITTINGS IN THE $^{6}\Sigma$ CrCu MOLECULE

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1980

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Ohio State University

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The metal-metal bond in CrCu molecule has been Investigated via ESR spectroscopy at 4K . The molecule was produced by the simultaneous deposition of the Separately vaporized metals into solid argon or krypton matrices at 4K . Fine structure in the spectrum established that the ground electronic state is 6Σ with a zero-field-splitting parameter |D|=0.003(1) cm−1 63Cu hyperfine and quadrupole coupling constants are |A|=860(10),|A11|=430(60), and |eqQ| = 400(100) MHz, with gg11ge. 53Cr hyperfine structure was unresolved. The anisotropy and the decreased magnitude of the Cu hyperfine relative to the Cu atom indicates bonding via the s electrons with participation of d`{s} orbitals.

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