The DNA-binding behavior and DFT calculation of ruthenium(II) complexes [Ru(phen)2L](ClO4)2 (L = HMOPIP and MOHPIP). Issue 24 (17th December 2017)

• Record Type: Journal Article
• Authors: Liang, Shao-Yu; Chen, Yu-Xin; Zeng, Yong-Chang; Wu, Qiong; Qiu, Fanghua; Wei, Xin-Yu; Li, Li; Mei, Wen-Jie; Zheng, Wen-Jie
• Is Part Of: Journal of coordination chemistry. Volume 70:Issue 24(2017)
• Page Start: 4019
• Page End: 4029
• Publication Date: 2017-12-17
• Subjects: Ruthenium(II) complex -- DNA-binding properties -- HOMO -- LUMO; Coordination compounds -- Periodicals; 541.2242
• DOI: 10.1080/00958972.2017.1411593
• Languages: English
• ISSNs: 0095-8972

Abstract

Abstract: Two ruthenium(II) complexes, [Ru(phen)2 HMPIP] 2+ (1 ) and [Ru(phen)2 MHPIP] 2+ (2 ), have been synthesized and characterized by elemental analysis, ESI-MS, and 1 H NMR spectroscopy. The DNA-binding properties of 1 and 2 have been investigated by electronic and emission spectra and viscosity experiments. The results show that both 1 and 2 can bind to DNA in intercalating mode, with 1 exhibiting stronger binding affinity. These were confirmed by the strong hypochromism at IL and MLCT absorption bands in both complexes when DNA was added into solution, and the increase in relative viscosity of CT-DNA in the presence of both complexes. Moreover, the calculated intrinsic binding constant for 1 and 2 from the decay of electronic spectra is 3.82 × 10 5 and 2.06 × 10 5 M −1, respectively. Finally, the effects of the substituent groups on the DNA-binding behavior of ruthenium(II) complexes have also been rationally discussed by computer calculation of density functional theory (DFT) methods. Abstract :