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- W4385752081 abstract "Predissociation thresholds corresponding to dissociation at ground state separated atom limits (SALs) have been recorded in this group for more than 100 d- and f-block metal-containing molecules. The metal atom electronic degeneracies in these molecules generate a dense manifold of electronic states that allow high-lying vibronic levels to couple to pathways leading to dissociation. However, CrN, CuB, and AuB fail to dissociate at their ground SAL. Instead, the molecules remain bound at energies that far surpass their bond dissociation energies (BDEs), and their bonds break only when excited at or above an excited SAL. Sharp predissociation thresholds at excited SALs nevertheless allowed BDEs to be derived: D0(CrN): 3.941(22) eV; D0(CuB): 2.26(15) eV; D0(Au11B): 3.724(3) eV. A previous measurement of D0(AlCr) is re-evaluated as dissociating to a higher energy limit, giving a revised value of D0(AlCr) = 1.32(2) eV. A discussion of this physical behavior is presented." @default.
- W4385752081 created "2023-08-12" @default.
- W4385752081 creator A5015352843 @default.
- W4385752081 creator A5039967104 @default.
- W4385752081 date "2023-08-11" @default.
- W4385752081 modified "2023-10-16" @default.
- W4385752081 title "CrN, CuB, and AuB: A Tale of Two Dissociation Limits" @default.
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- W4385752081 doi "https://doi.org/10.1021/acs.jpclett.3c01712" @default.
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