The carbon chain cations, HC2nO+(n=3-6) are produced via a pulsed laser vaporization supersonic expansion ion source in the gas phase. Their infrared spectra are measured via mass-selected infrared photodissociation s...The carbon chain cations, HC2nO+(n=3-6) are produced via a pulsed laser vaporization supersonic expansion ion source in the gas phase. Their infrared spectra are measured via mass-selected infrared photodissociation spectroscopy of the CO “tagged”[HC2nO·CO]+ cation complexes in 1600-3500 cm-1 frequency range. The geometric and electronic structures of the [HC2nO·CO]+ complexes and the core HC2nO+(n=3-6) cations are determined with the aid of density functional theory calculations. These HC2nO+(n=3-6) ions are identified to be linear carbon chain derivatives terminally capped by hydrogen and oxygen. The triplet ground states are 10-15 kcal/mol lower in energy than the singlet states, indicating cumulene-like carbon chain structures.展开更多
基金supported by the National Natural Science Foundation of China (No.21688102, No.21433005, and No.21573047)
文摘The carbon chain cations, HC2nO+(n=3-6) are produced via a pulsed laser vaporization supersonic expansion ion source in the gas phase. Their infrared spectra are measured via mass-selected infrared photodissociation spectroscopy of the CO “tagged”[HC2nO·CO]+ cation complexes in 1600-3500 cm-1 frequency range. The geometric and electronic structures of the [HC2nO·CO]+ complexes and the core HC2nO+(n=3-6) cations are determined with the aid of density functional theory calculations. These HC2nO+(n=3-6) ions are identified to be linear carbon chain derivatives terminally capped by hydrogen and oxygen. The triplet ground states are 10-15 kcal/mol lower in energy than the singlet states, indicating cumulene-like carbon chain structures.
