TY  - JOUR
A1  - Najafpour, Mohammad Mahdi
A1  - Hillier, Warwick
A1  - Shamkhali, Amir Nasser
A1  - Amini, Mojtaba
A1  - Beckmann, Katrin
A1  - Jaglicic, Zvonko
A1  - Jagodic, Marko
A1  - Strauch, Peter
A1  - Moghaddam, Atefeh Nemati
A1  - Beretta, Giangiacomo
A1  - Bagherzadeh, Mojtaba
T1  - Synthesis, characterization, DFT studies and catalytic activities of manganese(II) complex with 1,4-bis(2,2 ':6,2 ''-terpyridin-4 '-yl) benzene
JF  - Dalton transactions : a journal of inorganic chemistry, including bioinorganic, organometallic, and solid-state chemistry
N2  - A new di-manganese complex with "back-to-back" 1,4-bis(2,2':6,2 ''-terpyridin-4'-yl) benzene ligation has been synthesized and characterised by a variety of techniques. The back-to-back ligation presents a novel new mononuclear manganese catalytic centre that functions as a heterogeneous catalysis for the evolution of oxygen in the presence of an exogenous oxidant. We discuss the synthesis and spectroscopic characterizations of this complex and propose a mechanism for oxygen evolution activity of the compound in the presence of oxone. The di-manganese complex also shows efficient and selective catalytic oxidation of sulfides in the presence of H2O2. Density functional theory calculations were used to assess the structural optimization of the complex and a proposed reaction pathway with oxone. The calculations show that middle benzene ring is distorted respect to both of metallic centers, and this in turn leads to negligible resonance of electrons between two sides of complex. The calculations also indicate the unpaired electron located on oxyl-ligand emphasizes the radical mechanism of water oxidation for the system.
Y1  - 2012
U6  - https://doi.org/10.1039/c2dt31544k
SN  - 1477-9226
VL  - 41
IS  - 39
SP  - 12282
EP  - 12288
PB  - Royal Society of Chemistry
CY  - Cambridge
ER  -