Unsaturated binuclear homoleptic nickel carbonyl anions Ni2(CO)n− (n = 4–6) featuring double three-center two-electron Ni–C–Ni bonds

Literature Information

Publication Date 2020-09-29
DOI 10.1039/D0CP03883K
Impact Factor 3.676
Authors

Zhiling Liu, Yan Bai, Ya Li, Jing He, Qingyang Lin, Hua Xie, Zichao Tang


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Abstract

The homoleptic homodinuclear nickel carbonyl anions Ni2(CO)n− (n = 4–6) are mass-selected in the gas phase and examined with anion photoelectron velocity-map imaging spectroscopy combined with density functional calculations. The doubly carbonyl-bridged structures are found to be favorable for Ni2(CO)n− (n = 4–6). The nature of Ni–Ni bonding in these complexes is analysed with the aid of a range of state-of-the-art quantum chemistry methods. Despite the absence of direct multiple Ni–Ni bonds, the two nickel atoms in Ni2(CO)n− (n = 4–6) complexes are joined by two bridging carbonyl ligands via the sharing three-center two-electron Ni–C–Ni bond in turn to achieve the (16,16), (16,18), and eventually the favored (18,18) configurations.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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