Two new hydrated monocationic Cu(II) complexes with 1,3-propylenediamine and 1,2-ethylenediamine of general formula [CuBr(N-N)₂.H₂O]Br were prepared. The complexes were identified by means of several spectroscopic tools (Uv-visible, IR and MS), thermally (TG/DTA) and CHN-elemental analysis. The three dimensional structure for complex A and B was provide by X-ray diffraction studies and showed the Cu(II) ion as 4+1+1 coordinated, four nitrogen atoms of the diamine ligands, one bromide ion and one H₂O semi-coordinated to the Cu(II) center, a typical trans effect is clearly observed in the two complexes. The molecular crystal structures are linked via several H-bonds like N__H...Br and N__H...O. Additionally, intra-molecular H-bonds of kind C__H....Br is observed; these interactions lead to crystal structure three dimensional architecture packing. Hirshfeld surfaces (HSA) analysis was served to figure out the inter-contacts and fingerprints atoms percentage. DNA-binding, antitumor and antibacterial effectiveness of the desired complexes were evaluated.

制备了两种新的具有通式[CuBr（NN）₂ .H ₂ O] Br的1,3-丙二胺和1,2-乙二胺的水合单阳离子Cu（II）配合物。通过多种光谱学工具（紫外可见光，红外和质谱），热分析（TG / DTA）和CHN元素分析鉴定了配合物。X射线衍射研究提供了配合物A和B的三维结构，表明Cu（II）离子为4 + 1 + 1配位，二胺配体的四个氮原子，一个溴离子和一个H ₂ O半-与Cu（II）中心协调，在两个络合物中可以清楚地观察到典型的反式作用。分子晶体结构通过几个H键，例如N__H ... Br和N__H ... O。另外，观察到了C__H .... Br类分子内的H键；这些相互作用导致晶体结构三维结构堆积。进行了Hirshfeld表面（HSA）分析，以得出接触间和指纹原子的百分比。评价了所需复合物的DNA结合，抗肿瘤和抗菌效力。