CrH ($6_{\Sigma}$) AND $CrH_{2} (^{5}A_{1})$ MOLECULES: ESR AND OPTICAL SPECTROSCOPY AT $4^{\circ} K$.
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Date
1979
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Ohio State University
Abstract
CrH and CrD molecules have been trapped in solid argon at $4^{\circ} K$. Infrared spectra, when the large anharmonicity is accounted for, yield predicted gas phase vibrational parameters in the ground state $\omega_{e} = 1615 cm^{-1}$ and $\omega_{e}x_{e} =~17 cm^{-1}$. ESR spectra clearly establish that the molecule has a $^{6} \Sigma$ ground state with zero-field-splitting |D| = $0.34 cm^{-1}$ in solid argon and approximate hyperfine coupling constants |A(H)| = 49(5) MHz, $|A_{\bot}(^{53}Cr)| =53(5)$ MHz, and $g_{\bot} \cong g_{\mu} = g_{c}$. Several ``extra lines’’ (off principal axis absorptions) in the ESR support the assignment. $CrH_{2}$, $CrD_{2}$ and CrHD were observed in the IR spectra which indicate a bent molecule with $\theta \cong 120^{\circ}$. It may also have been detected in the ESR, and those data suggest a S = 2 molecule with |D| $\cong 0.02 cm^{-1}$.
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