Reaction between bromo tricarbonyl manganese(I) and N,N′-bis(phenyl)-1,4-diaza-1,3-butadiene ligands, bearing different electron-donating and electron-withdrawing groups R = OCH₃, Cl, and NO₂ in the ortho- and para-positions on the phenyl substituent, afforded [MnBr(CO)₃(N–N)] complexes. The influence of the character and position of the substituent on the dark stability and carbon monoxide releasing kinetics was systematically investigated and correlated with the data of the time-dependent density functional theory calculations. The combined UV/Vis and IR data clearly revealed that the aerated solutions of [MnBr(CO)₃(N–N)] in either coordinating or noncoordinating solvents are dark stable and the fluctuations observed during the incubation period especially in the case of the nitro derivatives may be attributed to the exchange of the axial bromo ligand with the coordinating solvent molecules. The free ligands and nitro complexes were non-cytotoxic to HepG2 cells under both the dark and illumination conditions. In the dark, Mn(I) compounds, incorporating o-OCH₃ and o-Cl, exhibited excellent cytotoxicity with IC₅₀ values of 18.1 and 11.8 μM, while their para-substituted analogues were inactive in the dark and active upon the irradiation at 365 nm with IC₅₀ values of 5.7 and 6.7 μM, respectively.

溴三羰基锰 (I) 与N,N '-双(苯基)-1,4-二氮杂-1,3-丁二烯配体之间的反应，带有不同的给电子和吸电子基团 R = OCH ₃、Cl 和NO ₂在苯基取代基的邻位和对位，得到 [MnBr(CO) ₃ (N-N)] 络合物。系统研究了取代基的性质和位置对暗稳定性和一氧化碳释放动力学的影响，并与时间依赖的密度泛函理论计算数据相关联。组合 UV/Vis 和 IR 数据清楚地表明 [MnBr(CO) ₃的充气溶液(N-N)] 在配位或非配位溶剂中都是暗稳定的，在孵育期间观察到的波动，尤其是在硝基衍生物的情况下，可能归因于轴向溴配体与配位溶剂分子的交换。在黑暗和光照条件下，游离配体和硝基复合物对 HepG2 细胞均无细胞毒性。在黑暗中，结合o -OCH ₃和o -Cl 的Mn(I) 化合物表现出优异的细胞毒性，IC ₅₀值为 18.1 和 11.8 μM，而它们的对位取代类似物在黑暗中无活性，在365 nm，IC ₅₀值分别为 5.7 和 6.7 μM。