Synthesis, Characterization, Reactivity, and Antibacterial Studies of Triethylammonium-3-silatranylpropyldithiocarbamate, Spectroscopic, and Quantum Mechanical Studies of 3-(Silatranyl)propylammonium Chloride

3-aminopropylsilatrane (1) was crystallized as its hydrochloride salt, 3-(silatranyl)propylammonium chloride (2), which was confirmed by spectroscopic and X-ray diffraction studies. Single-crystal X-ray data revealed orthorhombic crystal system (space group = P212121) with three molecules packed in an asymmetric unit cell. Herein, a special emphasis on the experimental and computational methods is given to study the geometric and spectroscopic parameters of 3-(silatranyl)propylammonium chloride (2). The scaled values of vibrational frequencies were obtained by using different basis sets. To study the reactivity of 1 toward nucleophilic addition reactions, it was treated with CS2 in the presence of triethylamine, which resulted in a novel silatrane, triethylammonium-3-silatranylpropyldithiocarbamate (4). Due to its ability to act as bidentate ligand (L), reactivity of 4 was studied by reacting it with Cu(II), Co(II), Ni(II), and Pd(II) metal salts. The composition, nature of bonding, and geometry of comple...