Combining with electrospray ionization（ESI）mass spectrometry,infrared photodissociation（IRPD）spectroscopy is a powerful method to study structures of cluster ions in the gas phase.In this paper,infrared photodisso...Combining with electrospray ionization（ESI）mass spectrometry,infrared photodissociation（IRPD）spectroscopy is a powerful method to study structures of cluster ions in the gas phase.In this paper,infrared photodissociation spectrum of Pro_4H~＋in the range of 2700–3600 cm 1was obtained experimentally.Both theoretically predicted spectra of the two most stable isomers of Pro4^（-1） and Pro4^（-2） obtained at the level of M062X/6-31＋G（d,p）are in good consistent with the experimental results.The two isomers have similar structures and close energies.Both of them only consist of zwitterionic units,indicating the strong salt-bridged interactions inside the clusters.And the calculated collision cross section（ccs）of Pro4-1 is found to be very close to the experimental result previously reported.展开更多
基金Financial support from the National Natural Science Foundation of China (Nos. 21172121, 21475065)the Fundamental Research Funds for the Central Universities
文摘Combining with electrospray ionization（ESI）mass spectrometry,infrared photodissociation（IRPD）spectroscopy is a powerful method to study structures of cluster ions in the gas phase.In this paper,infrared photodissociation spectrum of Pro_4H~＋in the range of 2700–3600 cm 1was obtained experimentally.Both theoretically predicted spectra of the two most stable isomers of Pro4^（-1） and Pro4^（-2） obtained at the level of M062X/6-31＋G（d,p）are in good consistent with the experimental results.The two isomers have similar structures and close energies.Both of them only consist of zwitterionic units,indicating the strong salt-bridged interactions inside the clusters.And the calculated collision cross section（ccs）of Pro4-1 is found to be very close to the experimental result previously reported.
