Dehydrogenation processes and molecular clusters in mass spectra of organometallic and coordination compounds

A method for the calculation of components from the complex molecular pattern is proposed. The modelling of molecular ion region in mass spectrum is applied to cases where for detection of the dehydrogenation processes effects such as losses of protons, hydrogen radicals or hydrogen molecules may occur. The parts of (M-H) and (M-2H) bands are determined as components of the picture observed in the molecular ion range of mass spectrum. Positive results of the modelling show, the hydrogen losses should be considered in resulted spectrum interpretation. The components contributions were computed by the least squares method, in which optimisation is based on Hooke Jeeves procedure. Such an approach resulted in model fits within 1% precision for the cluster containing five or more peaks. Applications of the method are presented for 2-methyl-selenolo[2.3-b]-pyridine C8H7NSe, ethyl-digermane C2H10Ge2 and methyl-mercuric-dicyandiamide C3H10HgN4.