Muhammad Iraqi

A Combined Experimental and Theoretical Study of the Neutral, Cationic and Anionic Si3N Cluster Molecule

Collision experiments and high‐level ab initio calculations are used for the first characterization of the neutral, cationic, and anionic Si3N cluster molecules. The experimentally observed fragmentation processes are well described by calculated reaction energies of all dissociation channels. In addition, the geometries and harmonic frequencies of SinN (n=1–3) have been calculated for the cationic, anionic, and neutral species.

Generation and identification of neutral and cationic hydrogensilaisocyanid (“iminosilicon”, HNSi) by neutralization—reionization mass spectrometry and gaussian-1 ab initio molecular orbital calculations

Abstract Mass spectrometric studies demonstrate that electron bombardment of a mixture of N 2 /SiH 3 I results in the formation of HNSi + which can be neutralized to the long-sought-after HNSi. The experimental results are complemented by high level ab initio MO calculations using Poples gaussian-1 approach. Both theory and equipment point to the formation of HNSi + ( 2 ∑ + )/HNSi ( 1 ∑ + ) rather than the isomeric forms NSiH + ( 2 ∑ + )/NSiH ( 1 ∑ + ).

Experimental evidence for the gas phase existence of HSOH (hydrogen thioperoxide) and SOH2 (thiooxonium ylide)

Abstract Experiments are reported on the successful gas phase generation of hydrogen thioperoxide (HSOH) and thiooxonium ylide (SOH 2 ).

Gas-phase characterization of the neutral and cationic Si2O2 molecules. A combined experimental and ab initio study

Abstract Collision experiments are reported for the generation and characterization of the neutral and cationic Si2O2 molecule. In addition to the experimental characterization of Si2O2, high-level ab initio calculations (CCSD(T)/PVTZ/MP2/6-311G(df)) have been performed in order to support the experimental findings. The study reveals that the global minimum on both cationic and neutral surfaces corresponds to a bicyclic rhombohedric structure.

Gas-phase generation and characterization of linear silicon carbon hydrides SiCxH. (x = 4, 6) by neutralization-reionization mass spectrometry

Abstract The hydrogenated silicon carbides SiC x H . ( x =4, 6) are generated and characterized in the gas phase by neutralization-reionization mass spectrometry. The mass spectra are in keeping with a linear connectivity SiC x H . and rule out the isomeric form HSiC . x .

Charge reversal (CR) and neutralization reionization (−NR+) mass spectrometry of bicarbonate and bisulfite ions

Abstract Bicarbonate (HOCO−2) and bisulfite (HOSO−2) ions, generated by termolecular reactions of OH− with CO2 and SO2, respectively, are subjected to collision experiments, in the course of which corresponding radicals HOXO.2 (X = O on S) and cations HOXO+2 are generated and characterized by means of tandem mass spectrometry.