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CrH and CrH2molecules: ESR and optical spectroscopy at 4 °K

机译:CrH 和 CrH2 分子:4 °K 下的 ESR 和光谱

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CrH and CrD molecules have been trapped in solid argon at 4 °K. Infrared spectra, when the large anharmonicity is accounted for, yield predicted gas phase vibrational parameters in the ground state ohgr;e=1615 cm−1and ohgr;exe=17 cm−1. ESR spectra clearly establish that the molecule has a6Sgr; ground state with zero‐field‐splitting ‖D‖=0.34(1) cm−1in solid argon and approximate hyperfine coupling constants ‖A(H) ‖=49(5) MHz, ‖A⊥(53Cr) ‖=53(5) MHz, andg⊥?g∥=ge. Several ’’extra lines’’ (off‐principal‐axis absorptions) in the ESR support the assignment. CrH2(and CrD2, CrHD) was observed in the IR spectra and may also have been detected in the ESR, which tentatively suggest aS=2 molecule with ‖D‖?0.02 cm−1.
机译:CrH 和 CrD 分子被捕获在 4 °K 的固体氩气中。 当考虑较大的不谐波时,红外光谱产生了基态&ohgr;e=1615 cm−1和&ohgr;exe=17 cm−1的预测气相振动参数。ESR谱清楚地表明,该分子具有a6&Sgr;基态,零&连字符场&连字符&连字符分裂‖D‖=0.34(1) cm−1,固体氩气和近似超精细耦合常数‖A(H) ‖=49(5) MHz,‖A⊥(53Cr)‖=53(5) MHz,并且g⊥?g∥=ge。ESR 中的几条“额外线”(off‐principal‐axis absorptions)支持该分配。在红外光谱中观察到CrH2(和CrD2,CrHD),也可能在ESR中检测到,初步表明aS=2分子为‖D‖?0.02 cm−1。

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