Photoelectron spectroscopic and computational study of the PtMgH3,5− cluster anions

Literature Information

Publication Date 2016-06-29
DOI 10.1039/C6CP03243E
Impact Factor 3.676
Authors

Xinxing Zhang, Gerd Ganteför, Kit Bowen


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Abstract

The two cluster anions, PtMgH3− and PtMgH5−, were studied by photoelectron spectroscopy and theoretical calculations. Experimentally-determined electron affinity (EA) and vertical detachment energy (VDE) values were compared with those predicted by our computations; excellent agreement was found. The calculated structures of PtMgH3− and PtMgH3 both exhibit η2-bonded H2 moieties. Activation of these H2 moieties is implied by the elongation of their bond lengths relative to the bond length of free H2. The calculated structures of PtMgH5− and PtMgH5 both exhibit all-hydrogen, five-member, σ-aromatic rings. These attributes are responsible for this anion's special stability.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
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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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