Blue-light induced CO releasing properties of thiourea based manganese(I) carbonyl complexes

被引：12

作者：

Mansour, Ahmed M. ^{[1
,2
]}

Friedrich, Alexandra ^{[2
]}

机构：

[1] Cairo Univ, Dept Chem, Fac Sci, Gamma St, Cairo 12613, Egypt

[2] Julius Maximilians Univ Wutzburg, Inst Anorgan Chem, D-97074 Wurzburg, Germany

来源：

POLYHEDRON | 2017年 / 131卷

关键词：

CORMs; Photoactivatable; DFT; Blue-light; Thiourea; BIOLOGICAL-ACTIVITY EVALUATION; INTERMOLECULAR INTERACTIONS; TRICARBONYL COMPLEXES; CRYSTAL-STRUCTURE; MONOXIDE RELEASE; DFT; PHOTOCORMS; DESIGN; NI(II); CO(II);

D O I：

10.1016/j.poly.2017.04.021

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A new class of blue-light triggered carbon monoxide releasing molecules based on Mn(CO)(3)Br(N,S) ((N,S) = N,S-bidentate thiourea ligands) has been reported in this work. The H-1 and C-13 NMR analysis indicated that the thioureas coordinate to Mn(I) in the thione form. The stability test and the ability to derive CO to DMSO and myoglobin solution upon the exposure to 468 nm light source have been investigated. The benzothiazole-thiourea-CORM released only one CO equivalent, while the pyridine-analogs offered two molecules at the same experimental conditions. Natural bond orbital analysis has been carried out to give details about the hybridization of Mn-C and C equivalent to 0 bonds, natural charge, electronic arrangement of metal ion and strength of interaction between Mn(I) and the coordination sites. Both functional, B3LYP and CAM-B3LYP compare well with the experimental findings, where the longest wavelength band is assigned to MLCT. (C) 2017 Elsevier Ltd. All rights reserved.

引用

页码：13 / 21

页数：9