Axial ligand effects on the geometric and electronic structures of nonheme oxoiron(IV) complexes.

Journal of the American Chemical Society
Timothy A JacksonLawrence Que

Abstract

A series of complexes [Fe(IV)(O)(TMC)(X)](+) (where X = OH(-), CF3CO2(-), N3(-), NCS(-), NCO(-), and CN(-)) were obtained by treatment of the well-characterized nonheme oxoiron(IV) complex [Fe(IV)(O)(TMC)(NCMe)](2+) (TMC = tetramethylcyclam) with the appropriate NR4X salts. Because of the topology of the TMC macrocycle, the [Fe(IV)(O)(TMC)(X)](+) series represents an extensive collection of S = 1 oxoiron(IV) complexes that only differ with respect to the ligand trans to the oxo unit. Electronic absorption, Fe K-edge X-ray absorption, resonance Raman, and Mossbauer data collected for these complexes conclusively demonstrate that the characteristic spectroscopic features of the S = 1 Fe(IV)=O unit, namely, (i) the near-IR absorption properties, (ii) X-ray absorption pre-edge intensities, and (iii) quadrupole splitting parameters, are strongly dependent on the identity of the trans ligand. However, on the basis of extended X-ray absorption fine structure data, most [Fe(IV)(O)(TMC)(X)](+) species have Fe=O bond lengths similar to that of [Fe(IV)(O)(TMC)(NCMe)](2+) (1.66 +/- 0.02 A). The mechanisms by which the trans ligands perturb the Fe(IV)=O unit were probed using density functional theory (DFT) computations, yielding geometric ...Continue Reading

References

Mar 1, 1992·Journal of Molecular Graphics·L Laaksonen
Jun 26, 1998·Journal of Molecular Graphics & Modelling·D L BergmanA Laaksonen
Mar 20, 2003·Proceedings of the National Academy of Sciences of the United States of America·Mi Hee LimLawrence Que
Jan 15, 2004·Journal of the American Chemical Society·József KaizerLawrence Que
Jan 30, 2004·Journal of the American Chemical Society·Denis A ProshlyakovRobert P Hausinger
Dec 23, 2004·Journal of the American Chemical Society·Jan-Uwe RohdeLawrence Que
Feb 19, 2005·Angewandte Chemie·Andrea Decker, Edward I Solomon
Mar 2, 2005·Angewandte Chemie·Jan-Uwe Rohde, Lawrence Que
Jul 28, 2005·Journal of the American Chemical Society·Michael P JensenAudria Stubna
Aug 18, 2005·Journal of the American Chemical Society·John F BerryKarl Wieghardt
Sep 8, 2005·Journal of the American Chemical Society·Chivukula V SastriWonwoo Nam
Oct 6, 2005·Angewandte Chemie·Oleg PestovskyAndreja Bakac
Oct 29, 2005·Science·Michael R BukowskiLawrence Que
Dec 6, 2005·Inorganic Chemistry·Marlène MartinhoJean-Jacques Girerd
Mar 3, 2006·Journal of Inorganic Biochemistry·Andrea DeckerEdward I Solomon
Mar 15, 2006·Journal of Inorganic Biochemistry·Xiaopeng Shan, Lawrence Que
Jun 29, 2006·Journal of the American Chemical Society·Hajime HiraoSason Shaik
Aug 2, 2006·Inorganic Chemistry·Jan-Uwe RohdeLawrence Que
Sep 28, 2006·Proceedings of the National Academy of Sciences of the United States of America·Lee M HoffartCarsten Krebs
Oct 13, 2006·Journal of the American Chemical Society·John F BerryKarl Wieghardt
Oct 14, 2006·Angewandte Chemie·Eric J KlinkerLawrence Que
Dec 23, 2006·Science·Filipe Tiago de OliveiraTerrence J Collins
Jan 16, 2007·Nature Chemical Biology·Danica P GalonićCarsten Krebs
May 10, 2007·Accounts of Chemical Research·Sason ShaikDevesh Kumar
Jun 5, 2007·Accounts of Chemical Research·Carsten KrebsJ Martin Bollinger
Jun 28, 2007·Accounts of Chemical Research·Lawrence Que
Aug 25, 2007·Journal of the American Chemical Society·Bekir E EserPaul F Fitzpatrick
Oct 18, 2007·Journal of the American Chemical Society·Danica Galonić FujimoriPamela J Riggs-Gelasco
Dec 1, 2007·Proceedings of the National Academy of Sciences of the United States of America·Chivukula V SastriWonwoo Nam
Dec 7, 2007·Journal of the American Chemical Society·Andrea DeckerEdward I Solomon

❮ Previous
Next ❯

Citations

Oct 12, 2012·Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry·Lyndal M R JensenRitimukta Sarangi
Feb 25, 2009·Photosynthesis Research·Carsten Krebs, J Martin Bollinger
Nov 13, 2010·Journal of the American Chemical Society·Aidan R McDonaldLawrence Que
Jul 12, 2011·Journal of the American Chemical Society·Jason EnglandLawrence Que
Oct 10, 2012·Journal of the American Chemical Society·Jonathan M DarmonPaul J Chirik
Nov 19, 2011·The Journal of Physical Chemistry. a·Devesh KumarSam P de Visser
Nov 4, 2009·Nature Chemistry·Dong WangLawrence Que
Nov 20, 2009·Physical Chemistry Chemical Physics : PCCP·Christopher J Cramer, Donald G Truhlar
Oct 1, 2011·Dalton Transactions : an International Journal of Inorganic Chemistry·P ChandrasekaranSerena DeBeer
Jan 19, 2012·Physical Chemistry Chemical Physics : PCCP·Reza LatifiSam P de Visser
Jun 21, 2012·Organic & Biomolecular Chemistry·Luis E Gonzalez-OvalleSam P de Visser
Jun 23, 2009·Proceedings of the National Academy of Sciences of the United States of America·James P CollmanRichard A Decréau
Jul 13, 2012·Proceedings of the National Academy of Sciences of the United States of America·Katherine M Van HeuvelenLawrence Que
Aug 22, 2012·Proceedings of the National Academy of Sciences of the United States of America·Martin SrnecEdward I Solomon
Jan 1, 2014·Proceedings of the National Academy of Sciences of the United States of America·Shinichi EnamiAgustín J Colussi
Nov 17, 2009·Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry·Yi Wang, Keli Han
Jul 16, 2015·Accounts of Chemical Research·Mayank Puri, Lawrence Que
Sep 9, 2015·Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry·Wang YiWang Yong
Aug 6, 2015·Inorganic Chemistry·Jason EnglandLawrence Que
Feb 26, 2011·Science·Jeremiah J ScepaniakJeremy M Smith
Aug 23, 2016·Journal of the American Chemical Society·Tzuhsiung YangSam P de Visser
Nov 3, 2016·Journal of the American Chemical Society·Shengfa YeFrank Neese
Jan 27, 2017·Journal of the American Chemical Society·Erik AndrisJana Roithová
Mar 2, 2017·Journal of the American Chemical Society·Hongxin Gao, John T Groves
May 31, 2017·Journal of the American Chemical Society·Claudia KupperFranc Meyer
Aug 19, 2015·Chemical Communications : Chem Comm·Sujoy RanaDebabrata Maiti
Mar 24, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·Lin-Lin ZhangChi-Ming Che
Mar 10, 2018·Angewandte Chemie·Stefan SchaubSiegfried Schindler
Dec 6, 2017·Chemistry : a European Journal·Johannes E M N KleinLawrence Que
Aug 29, 2018·Physical Chemistry Chemical Physics : PCCP·Hsiu-Feng LuHsing-Yin Chen
Sep 28, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·Gourab MukherjeeSam P de Visser
Dec 6, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·Chang-Chih HsiehYih-Chern Horng

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.