Covalently bound tetracoordinated organoborons as superhalogens: a combined negative ion photoelectron spectroscopy and theoretical study.
作者： Jian Zhang , Ping Yang , Zhen-Rong Sun , Xue-Bin Wang
DOI: 10.1021/JP410009A
关键词:
摘要: Molecular species with electron affinities (EAs) larger than that of the chlorine atom (3.6131 eV) are superhalogens. The corresponding negative ions, namely, superhalogen anions, intrinsically very stable high binding energies (EBEs) and widely exist as building blocks bulk materials ionic liquids. most common anions proposed experimentally confirmed to date either salts or compact inorganic species. Herein, we report a new class species, series tetracoordinated organoboron [BL4]− (L = phenyl (1), 4-fluorophenyl (2), 1-imidazolyl (3), L4 H(pyrazolyl)3 (4)) bulky organic ligands covalently bound central B atom. Negative ion photoelectron spectroscopy (NIPES) reveals all these possess EBEs higher Cl– adiabatic/vertical detachment energy (ADE/VDE) 4.44/4.8 4.78/5.2 5.08/5.4 4.59/4.9 eV (4), respectively. First-principles calculations EBEs...
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