Photoelectron spectroscopic and computational study of the PtMgH3,5− cluster anions†
Xinxing Zhang,Gerd Ganteför,Kit Bowen
Physical Chemistry Chemical Physics Pub Date : 06/29/2016 00:00:00 , DOI:10.1039/C6CP03243E
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.

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