Iron porphyrins with a hydrogen bonding cavity: effect of weak interactions on their electronic structure and reactivity

Mittra Kaustuv; Singha Asmita; Dey Abhishek

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Iron porphyrins with a hydrogen bonding cavity: effect of weak interactions on their electronic structure and reactivity

机译：具有氢键腔的铁卟啉：弱相互作用对其电子结构和反应性的影响

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The electronic structure and reactivity of iron porphyrin complexes bearing 2nd sphere hydrogen bonding residues have been investigated over the last few years. The presence of these weak interactions alters the spin ground state, and axial ligand bonding and provides a proton translocation pathway into the active site. Mechanistic investigations in organic as well as aqueous media demonstrate how controlled delivery of protons is fundamental in dictating the selectivity of a multi-electron multi-proton process like the reduction of dioxygen to water.

机译：在过去的几年中，已经研究了带有第二球氢键残基的铁卟啉配合物的电子结构和反应性。这些弱相互作用的存在改变了自旋基态和轴向配体键合，并提供了质子移位进入活性位点的途径。在有机介质和水性介质中的机械研究表明，质子的受控传递在决定多电子多质子过程（如将双氧还原为水）的选择性方面是至关重要的。

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《Dalton transactions: An international journal of inorganic chemistry》 |2016年第47期|共7页
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Mittra Kaustuv; Singha Asmita; Dey Abhishek;
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1. Iron porphyrins with a hydrogen bonding cavity: effect of weak interactions on their electronic structure and reactivity [J] . Mittra Kaustuv, Singha Asmita, Dey Abhishek Dalton transactions: An international journal of inorganic chemistry . 2016,第47期

机译：具有氢键腔的铁卟啉：弱相互作用对其电子结构和反应性的影响
2. A designed second-sphere hydrogen-bond interaction that critically influences the O–O bond activation for heterolytic cleavage in ferric iron–porphyrin complexes [J] . Sarmistha Bhunia, Atanu Rana, Somdatta Ghosh Dey, Chemical science . 2020,第10期

机译：设计的第二球形氢键相互作用，对铁卟鸡卟啉复合物中的o-o键活化进行致密地影响O-O键活化
3. Hydrogen-Bonding Interactions Trigger a Spin-Flip in Iron(III) Porphyrin Complexes [J] . Sahoo Dipankar, Quesne Matthew G., de Visser Sam P., Angewandte Chemie . 2015,第16期

机译：氢键相互作用触发铁（III）卟啉配合物的自旋翻转
4. Ab Initio Calculations of the Electronic Structure and Magnetism of Iron Porphyrin-Type Molecules: A Benchmarking Study [C] . Pooja M. Panchmatia, Biplab Sanyal, Peter M. Oppeneer International Workshop on Applied Parallel Computing . 2007

机译：铁卟啉型分子电子结构和磁性的AB Initio计算：基准研究
5. Development of Polypyridyl Pyrazolate-Bridging Dinucleating Ligands Containing Hydrogen-Bond Donors: Synthesis, Structure, and Reactivity of the Corresponding Manganese, Iron and Cobalt Complexes [D] . Ng, Kwanyi. 2012

机译：含有氢键供体的聚吡啶吡吡吡唑酯桥桥桥接配体：相应锰，铁和钴络合物的合成，结构和反应性
6. A designed second-sphere hydrogen-bond interaction that critically influences the O–O bond activation for heterolytic cleavage in ferric iron–porphyrin complexes [O] . Sarmistha Bhunia, Atanu Rana, Somdatta Ghosh Dey, 2020

机译：设计的第二球形氢键相互作用对铁卟鸡卟啉复合物中的o-o键活化进行致密地影响O-O键活化
7. A designed second-sphere hydrogen-bond interaction that critically influences the O–O bond activation for heterolytic cleavage in ferric iron–porphyrin complexes [O] . Sarmistha Bhunia, Atanu Rana, Somdatta Ghosh Dey, 2020

机译：设计的第二球形氢键相互作用，对铁卟鸡卟啉复合物中的o-o键活化进行致密地影响O-O键活化

Iron porphyrins with a hydrogen bonding cavity: effect of weak interactions on their electronic structure and reactivity

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