Ionization energies and cationic bond dissociation energies of RuB, RhB, OsB, IrB, and PtB
Ionization energies and cationic bond dissociation energies of RuB, RhB, OsB, IrB, and PtB
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DOI：
10.1063/5.0107086
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发表时间：
2022-08-21
影响因子：
4.4
通讯作者：
Morse, Michael D. D.
中科院分区：
文献类型：
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作者：
Merriles, Dakota M. M.;Morse, Michael D. D.
RuB、RhB、OsB、IrB 和 PtB 的双光子电离阈值已在喷射冷却分子束中使用共振双光子电离光谱进行测量，并用于推导这些分子的绝热电离能。根据测得的双光子电离阈值，IE(RuB) = 7.879(9) eV、IE(RhB) = 8.234(10) eV、IE(OsB) = 7.955(9) eV、IE(IrB) = 8.301(15) eV 和 IE(PtB) = 8.524(10) eV分配的。通过采用热化学循环，还导出了这些分子的阳离子键解离能，得出 D-0(Ru+-B) = 4.297(9) eV、D-0(Rh+-B) = 4.477(10) eV、D-0(Os-B+) = 4.721(9) eV、D-0(Ir-B+) = 4.925(18) eV，D-0(Pt-B+) = 5.009(10) eV。所产生的阳离子过渡金属一硼化物（MB+）的电子结构已通过量子化学计算得到阐明。讨论了 MB+ 分子的周期性趋势以及与其中性对应物的比较。还讨论了所有这些阳离子过渡金属一硼化物中四重化学键的可能性。由 AIP Publishing 独家许可出版。
Two-photon ionization thresholds of RuB, RhB, OsB, IrB, and PtB have been measured using resonant two-photon ionization spectroscopy in a jet-cooled molecular beam and have been used to derive the adiabatic ionization energies of these molecules. From the measured two-photon ionization thresholds, IE(RuB) = 7.879(9) eV, IE(RhB) = 8.234(10) eV, IE(OsB) = 7.955(9) eV, IE(IrB) = 8.301(15) eV, and IE(PtB) = 8.524(10) eV have been assigned. By employing a thermochemical cycle, cationic bond dissociation energies of these molecules have also been derived, giving D-0(Ru+-B) = 4.297(9) eV, D-0(Rh+-B) = 4.477(10) eV, D-0(Os-B+) = 4.721(9) eV, D-0(Ir-B+) = 4.925(18) eV, and D-0(Pt-B+) = 5.009(10) eV. The electronic structures of the resulting cationic transition metal monoborides (MB+) have been elucidated using quantum chemical calculations. Periodic trends of the MB+ molecules and comparisons to their neutral counterparts are discussed. The possibility of quadruple chemical bonds in all of these cationic transition metal monoborides is also discussed. Published under an exclusive license by AIP Publishing.