| Photo-induced reactions in metal ion-molecular complexes play an important role in a wide range of biological, chemical, and physical processes.Ion-molecule complexes of Ca+(NH2C(CH3)3), Ca+(HN(C3H7)2), and Ca+(NC5H5) were produced in a laser-ablation supersonic source, followed by photodissociation investigation in the reflection time-of-flight mass spectrometer (RTOFMS).Photodissociation action spectra and branching ratio of reaction channels were recorded in the spectral range of 360-642 nm for complex Ca+(HN(C3H7)2), 360-642 nm for complex Ca+(NH2C(CH3)3), 412-690 nm for complex Ca+(NC5H5). Except for non-reactive product Ca+, minor reactive products were observed from the photodissociation of each complex. Using DFT method, Theoretical study was performed at B3LYP/6-311++G** level to get the ground state geometries of the complexes and photodissociation fragments. The absorption spetra of complexes were calculate using a less extended configuration interaction (CI) referred to as the CI-single (CIS) approach on the calculated geometries of the complexes at the same theoretical level. The calculated absorption spetra agree well with observed photodissociation action spectra. The photodissociation mechanism were proposed for complexes by the help of theoretical calculation. The photodissociation of Ca+(NC5H5) and Mg+(NC5H5)...
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