M(N_2)_n~+(M=Y,La,Ce)的红外光解离光谱研究
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摘要
The M(N_2)_n~+(M=Y,La,Ce;n=7-8)complexes have been produced and analyzed using a laser vaporization supersonic cluster source and a tandem time-of-flight(TOF)mass spectrometer.These cluster cations have been studied via infrared photodissociation(IRPD)spectroscopy and density functional theory(DFT)calculations in the N-N stretching region.The experimental results indicate that the N-N stretching vibrational frequencies of the complexes are red-shifted with respect to the free N_2,which are larger than the red-shifts of C-O stretching vibrational frequencies in the corresponding carbonyls M(CO)_8~+.This indicates that the N_2 molecules gain more activation by these metals than CO,which is supported by the calculated fuzzy bond order of the CO/N_2 moieties.IRPD spectra and DFT calculations reveal the coexistence of two isomers in the seven-coordinate M(N_2)_7~+and eight-coordinate M(N_2)_8~+complexes,respectively,implying that the formation of the metal-nitrogen and carbonyl complexes with such high coordination number could be a common feature for Y,La and Ce.
The M(N_2)_n~+(M = Y,La,Ce;n =7-8) complexes have been studied by infrared photodissociation(IRPD)spectroscopy and density functional theory(DFT) calculations.IRPD spectra and DFT calculations reveal the coexistence of two isomers in the seven-coordinate M(N_2)_7~+ and eight-coordinate M(N_2)_8~+ complexes,respectively.The present studies on these metal-nitrogen complexes shed light on the interactions and coordinations toward N_2with the transition and lanthanide metals.
引文
[1]Hua Xie,Lei Shi,Xiaopeng Xing,Zichao Tang,Phys.Chem.Chem.Phys.2016,18,4444.

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