Problem Statement. In Iraq like most third world countries, attempts discovered new antibiotic drugs derived from thiosemicarbazide and its metal complexes and developed the branch of applied in organic chemistry. Approach. New (Z)-2-(pyrrolidin-2-ylidene)hydrazinecarbothioamide (L) was synthesized in a good yield by the reaction of pyrrolidone with thiosemicarbazide. Co(II), Ni(II), and Cu(II) complexes of (L) were prepared and characterized by FT-IR, UV/visible spectra, (1)HNMR, and CHN analyses. Moreover, charge, bond length, bond angle, twist angle, heat of formation, and steric energy were calculated by using of the ChemOffice program, and the DFT calculations for the complexes were done. The free ligand and its metal complexes were tested in vitro against several microorganisms (Staphylococcus aurous, E. coli, Proteus vulgaris, Pseudomonas, and Klebsiella pneumoniae) to assess their antimicrobial properties. Results. The study shows that these complexes have octahedral geometry; in addition, it has high activity against tested bacteria. Conclusion/Recommendations. Based on the reported results, it may be concluded that ligand acts as bidentate, neutral ligand, coordinating through one of the nitrogen and sulfur atoms.

中文翻译：

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硫缩硫脲 (Z)-2-(pyrrolidin-2-ylidene)hydrazinecarbothioamide 的一些过渡金属配合物的合成、表征、理论晶体结构和抗菌活性。

问题陈述。在伊拉克，与大多数第三世界国家一样，人们尝试发现了源自氨基硫脲及其金属络合物的新型抗生素药物，并发展了有机化学的应用分支。方法。通过吡咯烷酮与氨基硫脲反应，以良好的收率合成了新的(Z)-2-(吡咯烷-2-亚基)肼碳硫酰胺(L)。制备了 (L) 的 Co(II)、Ni(II) 和 Cu(II) 配合物，并通过 FT-IR、UV/可见光谱、(1)HNMR 和 CHN 分析对其进行了表征。此外，利用ChemOffice程序计算了电荷、键长、键角、扭转角、形成热和空间能，并对配合物进行了DFT计算。游离配体及其金属配合物在体外针对几种微生物（金黄色葡萄球菌、大肠杆菌、变形杆菌、假单胞菌、和肺炎克雷伯菌）以评估其抗菌特性。结果。研究表明，这些配合物具有八面体几何结构；此外，它对受试细菌具有很高的活性。结论/建议。根据报告的结果，可以得出结论，配体作为双齿中性配体，通过氮和硫原子之一配位。