一些新的 N2O2 四齿席夫碱金属配合物的表征、DFT 和抗菌评价,Applied Organometallic Chemistry

当前位置： X-MOL 学术 › Appl. Organomet. Chem. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

一些新的 N2O2 四齿席夫碱金属配合物的表征、DFT 和抗菌评价
Applied Organometallic Chemistry ( IF 3.7 ) Pub Date : 2022-07-19 , DOI: 10.1002/aoc.6826
M. S. El‐Attar ₁ , F. M. Ahmed ₂ , S. A. Sadeek ₁ , S. F. Mohammed ₁ , W. A. Zordok ₁ , W. H. El‐Shwiniy _{1,

3}

Affiliation

Fe (III)、Co (II)、Ni (II)、Cu (II)、Y (III)、Zr (IV)、La (III) 和 U (VI) 与 Gat-o-phdn 席夫碱相互作用 ( 4E,4'E)-4,4'-(1,2-亚苯基双(氮杂亚甲基))双(1-环丙基-6-氟-8-甲氧基-7-(3-甲基哌嗪-1-基)-1, 4-二氢喹啉-3-羧酸产生阳离子单核配合物。分离的固体配合物用物理化学、光谱技术（FT-IR、UV-Vis 和¹H NMR)、质谱和热重分析。红外数据表明，作为四齿配体的Gat-o-phdn通过羧酸盐氧和偶氮甲碱基团的氮与金属离子螯合。金属离子与水分子完成配位数。检测了热分解的机制，并使用 Coats-Redfern (CR) 和 Horowitz-Metzger (HM) 方法评估了解离步骤的动力学参数。键长、键角、总能量、形成热、偶极矩和最低能量模型结构已使用密度泛函理论 (DFT) 计算确定。筛选合成的配体及其复合物对两种革兰氏阳性菌、两种革兰氏阴性菌和两种真菌的抗菌活性。金黄色葡萄球菌与游离 Gat-o-phdn 和参考标准对照相比。此外，与所有复合物相比，它显示出最高的抗菌效果。

"点击查看英文标题和摘要"

Characterization, DFT, and antimicrobial evaluation of some new N2O2 tetradentate Schiff base metal complexes

Fe (III), Co (II), Ni (II), Cu (II), Y (III), Zr (IV), La (III), and U (VI) interact with Gat-o-phdn Schiff base (4E,4′E)-4,4′-(1,2-phenylenebis (azaneylylidene))bis(1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid to produce cationic mononuclear complexes. The isolated solid complexes were characterized with physicochemical, spectroscopic techniques (FT-IR, UV–Vis and ¹H NMR), mass spectrometry, and thermogravimetric analyses. The infrared data indicated that Gat-o-phdn acting as tetradentate ligand chelated to the metal ions through the carboxylate oxygen and the nitrogen of azomethine group. The metal ions complete the coordination number with water molecules. The mechanism of the thermal decomposition was detected, and the kinetic parameters of the dissociation steps were evaluated using Coats–Redfern (CR) and Horowitz–Metzger (HM) methods. Bond lengths, bond angles, total energy, heat of formation, dipole moment, and the lowest energy model structures have been determined using density functional theory (DFT) calculations. The synthesized ligand and its complexes were screened for antimicrobial activities against two Gram-positive bacteria, two Gram-negative bacteria, and two fungi. The Cu (II) complex was very highly significant against Staphylococcus aureus compared with free Gat-o-phdn and references standard control. Also, it showed the highest antibacterial effects compared with all complexes.

更新日期：2022-07-19

点击分享查看原文

点击收藏

阅读更多本刊新发论文本刊介绍/投稿指南