Multiphoton ionization (MPI) of the hydrogen-bonded clusters C4H5N-(H2O)(m) was studied with a time of flight (TOF) mass spectrometer at 355 nm. Series of the pyrrole-water cluster ions were observed, including unprot...Multiphoton ionization (MPI) of the hydrogen-bonded clusters C4H5N-(H2O)(m) was studied with a time of flight (TOF) mass spectrometer at 355 nm. Series of the pyrrole-water cluster ions were observed, including unprotonated cluster ions [C4H5N-(H2O)(n)](+), protonated cluster ions [C4H5N-(H2O)(n)H](+) and dehydrogenated cluster ions [C4H4N-(H2O)(n)](+). Both the experimental and ab initio calculated results agree with that the dehydrogenation has more probabilities to occur while the value of n is raised.展开更多
NH3-CH3OH system was studied by ab initio calculations at the Hartree-Fock level using the 6-31Gbasis set. Equilibrium geometries of both of its ionic (type I and II) and neutral clusters are obtained. Different disso...NH3-CH3OH system was studied by ab initio calculations at the Hartree-Fock level using the 6-31Gbasis set. Equilibrium geometries of both of its ionic (type I and II) and neutral clusters are obtained. Different dissociation channels are evaluated for I and II, respectively. The results suggest that when NH3-CH3OH is vertically ionized,CH3O + NH+ are the dominant products via a proton transfer reaction, and accompanying the dissociation of (NH3-CH3OH)+ver to NH3 + + CH3OH, intracluster charge transfer process takes place in the system.展开更多
The clusters generated by direct laser vaporization of KH2PO4 and Cu-3(PO4)(2) samples are studied by a TOF mass spectrometer. It is found that mainly the [K(KPO3)(n)]* cluster series is generated from KH2PO4 sample a...The clusters generated by direct laser vaporization of KH2PO4 and Cu-3(PO4)(2) samples are studied by a TOF mass spectrometer. It is found that mainly the [K(KPO3)(n)]* cluster series is generated from KH2PO4 sample and it demonstrates obvious magic numbers, which are n=3, 6, 9, 12, 15. Direct laser vaporization of Cu-3(PO4)(2) sample produced [Cu(CuPO3)n]* cluster series as well as other series with the same building block of (CUPO3).展开更多
基金the National Natural Science Foundation of China (No.29833080).
文摘Multiphoton ionization (MPI) of the hydrogen-bonded clusters C4H5N-(H2O)(m) was studied with a time of flight (TOF) mass spectrometer at 355 nm. Series of the pyrrole-water cluster ions were observed, including unprotonated cluster ions [C4H5N-(H2O)(n)](+), protonated cluster ions [C4H5N-(H2O)(n)H](+) and dehydrogenated cluster ions [C4H4N-(H2O)(n)](+). Both the experimental and ab initio calculated results agree with that the dehydrogenation has more probabilities to occur while the value of n is raised.
文摘NH3-CH3OH system was studied by ab initio calculations at the Hartree-Fock level using the 6-31Gbasis set. Equilibrium geometries of both of its ionic (type I and II) and neutral clusters are obtained. Different dissociation channels are evaluated for I and II, respectively. The results suggest that when NH3-CH3OH is vertically ionized,CH3O + NH+ are the dominant products via a proton transfer reaction, and accompanying the dissociation of (NH3-CH3OH)+ver to NH3 + + CH3OH, intracluster charge transfer process takes place in the system.
文摘The clusters generated by direct laser vaporization of KH2PO4 and Cu-3(PO4)(2) samples are studied by a TOF mass spectrometer. It is found that mainly the [K(KPO3)(n)]* cluster series is generated from KH2PO4 sample and it demonstrates obvious magic numbers, which are n=3, 6, 9, 12, 15. Direct laser vaporization of Cu-3(PO4)(2) sample produced [Cu(CuPO3)n]* cluster series as well as other series with the same building block of (CUPO3).
