Theoretical study was performedon the photodissociation of Mg~+(OCNC_2H_5)_(1-3) at B3LYP/6-31+G~(**) level. Thecalculated absorption spectra of Mg~+(OCNC_2H_5)_(1-2) agree well with observedphotodissociation action spectra.

• 对于二元络合物Mg~+-OCNC_2H_5的光解,既观测到非反应的汽化产物Mg+,也观测到两个弱的反应产物Mg~+OCN 和C_2H_5~+ ;