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Late First Row Transition Metals In Weak Ligand Fields Correlating High Spin Electronic Structure And Reactivity
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Book Synopsis Late First-row Transition Metals in Weak Ligand Fields - Correlating High-Spin Electronic Structure and Reactivity by : Graham Thomas Sazama
Download or read book Late First-row Transition Metals in Weak Ligand Fields - Correlating High-Spin Electronic Structure and Reactivity written by Graham Thomas Sazama and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: High spin has been shown to be necessary for optimal reactivity of transition metal complexes toward the activation and functionalization of C-H bonds. This thesis presents our examination of the weak-field, tripodal, trianionic tris(pyrrolyl)ethane (tpe) ligand and its complexes.
Book Synopsis An Introduction to Transition-metal Chemistry: Ligand-field Theory by : Leslie E. Orgel
Download or read book An Introduction to Transition-metal Chemistry: Ligand-field Theory written by Leslie E. Orgel and published by . This book was released on 1966 with total page 184 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :David Michael P. Mingos Publisher :Springer Science & Business Media ISBN 13 :3642273696 Total Pages :227 pages Book Rating :4.6/5 (422 download)
Book Synopsis Molecular Electronic Structures of Transition Metal Complexes I by : David Michael P. Mingos
Download or read book Molecular Electronic Structures of Transition Metal Complexes I written by David Michael P. Mingos and published by Springer Science & Business Media. This book was released on 2012-01-13 with total page 227 pages. Available in PDF, EPUB and Kindle. Book excerpt: J.P. Dahl: Carl Johan Ballhausen (1926–2010).- J.R. Winkler and H.B. Gray: Electronic Structures of Oxo-Metal Ions.- C.D. Flint: Early Days in Kemisk Laboratorium IV and Later Studies.- J.H. Palmer: Transition Metal Corrole Coordination Chemistry. A Review Focusing on Electronic Structural Studies.- W.C. Trogler: Chemical Sensing with Semiconducting Metal Phthalocyanines.- K.M. Lancaster: Biological Outer-Sphere Coordination.- R.K. Hocking and E.I. Solomon: Ligand Field and Molecular Orbital Theories of Transition Metal X-ray Absorption Edge Transitions.- K.B. Møller and N.E. Henriksen: Time-resolved X-ray diffraction: The dynamics of the chemical bond.
Book Synopsis Electronic Spectra of Transitions Metal Complexes by : Vinod Jena
Download or read book Electronic Spectra of Transitions Metal Complexes written by Vinod Jena and published by Lulu.com. This book was released on 2015-04-12 with total page 93 pages. Available in PDF, EPUB and Kindle. Book excerpt: This books will provides a conceptual parts of Electronic spectra of various transition metal complexes, which is useful for various competitive examinations.
Book Synopsis Structural and Electronic Effects of Mono- and Bidentate Perfluorinated Alkoxide Ligands in Late First-row Transition Metal Complexes by : Stefanie A. Cantalupo
Download or read book Structural and Electronic Effects of Mono- and Bidentate Perfluorinated Alkoxide Ligands in Late First-row Transition Metal Complexes written by Stefanie A. Cantalupo and published by . This book was released on 2013 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: Seven homoleptic first-row transition metal complexes were prepared with the perfluorot-butoxide ligand with three- and four-coordinate geometry. The compounds were prepared via metathesis reactions with the form [M(OC 4F9)3]-, M = Mn (1), Fe (2), Co (5), and Zn (7); [M(OC 4F9)4]n-, M = Fe (4), Co (6); and the THF adducts [M(THF)(OC4F 9)3]-, M = Co (5-THF), and Zn (7-THF). The complexes were synthesized and structurally characterized. Spectroscopic characterization with UV-vis, NMR, and IR will be discussed. Cyclic voltammetry studies of 5 and 6 in conjunction with UV-vis data show the presence of an equilibrium between the three-and four-coordinate complexes with ligand association and dissociation. Using the bidentate perfluorinated pinacolate ligand, ddfp, three complexes were prepared as [M(ddfp)2]2-, in which M = Fe ( 8), Co (9), and Zn (10). Complexes 8 and 9 have square-planar geometry and are high-spin. The magnetism was studied both in solution and the solid state. The combination of geometry and spin-state is rare for {MO4} complexes and 9 is the first example of {CoO4} with this combination, and 8 is the second example of this combination in an {FeO 4} system. A five-coordinate Co complex was also structurally characterized (9-OH2). A family of heteroleptic complexes of the form [Fe(X)(OC4F 9)3]- in which X = Cl (11), Br (12), or pyridine (13), and [M(py)(ddfp)2] 2- for M = Co (14), and Fe (15), were prepared and some were structurally characterized. Analytical data suggests the formation of an iron-amide complex, [Fe(HN(C6H5)(ddfp)2] 3-, (16), capable of further reactivity. The synthesis, characterization, and preliminary reactivity studies will be discussed. Two iron aryloxide complexes were synthesized with the pentafluorophenolate ligand, [Fe(OArF)4]2-, (17 ) and [OArF)3Fe(u2-OAr F)2Fe(OArF)3]2-, (18). The FeIII complex was formed as a result of presumed ligand oxidation and dissociation, highlighting the vulnerability of aryloxide ligands. A series of isotopically labeled compounds containing a short, strong hydrogen bond were prepared and characterized for neutron diffraction experiments. The compounds, [Cp2Co][D(OAr')], (19) and d10-[Cp2Co][H(OAr')], (20), were prepared with the partially fluorinated OAr' ligand, bis-(3,5-trifluoromethyl)phenoxide. The synthesis and characterization of these compounds will be discussed.
Book Synopsis The Effects of Ligand Electronics on the Properties and Reactivity of Late Transition Metal Complexes by : David Shaffer
Download or read book The Effects of Ligand Electronics on the Properties and Reactivity of Late Transition Metal Complexes written by David Shaffer and published by . This book was released on 2012 with total page 233 pages. Available in PDF, EPUB and Kindle. Book excerpt: The overarching theme of the work herein is the investigation of the effects of ligand electronics on the electronic structure and reactivity of non-innocent late transition metal complexes. Chapter 2 describes the electronic structure of (nacnacR[supercript]) Rh II[superscript] (phdisq) (nacnacR[superscript] = CH[C(R)(N-i [superscript] Pr2 C6 H3)]2, -[superscript], R = CH3, CF3; phdisq = 9,10-phenanthrenediiminosemiquinone *[superscript]-[superscript]), which incorporates both a reducible diimine ligand and a reducing [beta]-diketiminate ligand. The complex is assigned as having highly delocalized, closed shell frontier orbitals. One-electron oxidation of (nacnacCH3[superscript]) RhII[superscript] (phdisq) produces a delocalized ligand-based radical, while one-electron reduction gives (nacnac CH3[superscript]) RhII[superscript]) (phda). Chapter 3 studies the oxidative addition of halogen substrates to (nacnacR[superscript]) Rh(phdisq). Chlorine and bromine are observed to add in a normal trans fashion, but the addition of iodine is found to be dependent on the electronic properties of the ligands, forming either an [eta]1 -I2 complex or the oxidative addition product. Chapter 4 reports the reactions of (nacnacCH3[superscript])Rh(phdisq) with haloacids. The addition of HCl quickly produces the product [(nacnacH[superscript]CH3[superscript] RhCl2 (phdaH2)]+[superscript] (phdaH2 = 9,10-phenanthrenediamine), which is the result of protonation of the (nacnacCH3[superscript]) ligand, oxidative addition to the rhodium center, and hydrogenation of the phdi ligand. This reaction is reversible, and the deprotonated (nacnacCH3[superscript])RhCl2 (phdaH2) is also isolable but undergoes slow disproportionation. All phdaH2 complexes are dehydrogenated by oxygen to give the corresponding phdi products. Chapter 5 examines the differences between (nacnacCH3[superscript])Co(phdisq) and (nacnacCH3[superscript])Rh(phdisq). The solid state structures are completely analogous, suggesting analogous electronic ground states. Differences in the solution spectroscopic characterization between the rhodium and cobalt complexes suggest the existence of a thermally accessible triplet state for (nacnacCH3[superscript])Co(phdisq). Chapter 6 addresses the question of how the introduction of a reducible ligand will affect the electrocatalytic potential of a catalyst for proton reduction. The complexes (adi)M(bdt) (M = Ni, Co; adi = N-N'-bis(2,4,6-trimethylphenyl)-acenapthene-1,2-diimine, bdt = 1,2-benzenedithiolate2-[superscript] are described, and the cobalt complex is evaluated as an electrocatalyst for H+[superscript] reduction. Results indicate that the [eta]-acidic nature of the adi ligand makes the cobalt center less basic, thus reducing its catalytic efficiency. Chapter 7 compares tungsten complexes of the well-known redox active bis(3,5-di- tert- butyl-phenolate)amido3-[superscript] ligand (ONO3-[superscript]) and the novel bis(4-methyl-thiophenolate)amido3-[superscript] (SNS3-[superscript]) ligand. While W(ONO)2 is found to be an `innocent' tungsten(VI) complex, W(SNS)2 is described as tungsten(IV) with partially oxidized (SNS) ligands. W(SNS)2 has a highly distorted geometry that is ascribed to [eta]-[eta] interactions in the solid state.
Book Synopsis Spin States in Biochemistry and Inorganic Chemistry by : Marcel Swart
Download or read book Spin States in Biochemistry and Inorganic Chemistry written by Marcel Swart and published by John Wiley & Sons. This book was released on 2015-09-17 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: It has long been recognized that metal spin states play a central role in the reactivity of important biomolecules, in industrial catalysis and in spin crossover compounds. As the fields of inorganic chemistry and catalysis move towards the use of cheap, non-toxic first row transition metals, it is essential to understand the important role of spin states in influencing molecular structure, bonding and reactivity. Spin States in Biochemistry and Inorganic Chemistry provides a complete picture on the importance of spin states for reactivity in biochemistry and inorganic chemistry, presenting both theoretical and experimental perspectives. The successes and pitfalls of theoretical methods such as DFT, ligand-field theory and coupled cluster theory are discussed, and these methods are applied in studies throughout the book. Important spectroscopic techniques to determine spin states in transition metal complexes and proteins are explained, and the use of NMR for the analysis of spin densities is described. Topics covered include: DFT and ab initio wavefunction approaches to spin states Experimental techniques for determining spin states Molecular discovery in spin crossover Multiple spin state scenarios in organometallic reactivity and gas phase reactions Transition-metal complexes involving redox non-innocent ligands Polynuclear iron sulfur clusters Molecular magnetism NMR analysis of spin densities This book is a valuable reference for researchers working in bioinorganic and inorganic chemistry, computational chemistry, organometallic chemistry, catalysis, spin-crossover materials, materials science, biophysics and pharmaceutical chemistry.
Book Synopsis Chemistry of the First Row Transition Metals by : Jon A. McCleverty
Download or read book Chemistry of the First Row Transition Metals written by Jon A. McCleverty and published by . This book was released on 2023 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: 'Chemistry of the First Row Transition Metals' introduces this field of chemistry. The reactivity and structural properties of first-row transition metals and their compounds depend on the electronic configuration of the d electrons of the metal. The book describes the most significant structures, reactions, and other important properties of co-ordination, organometallic and solid-state compounds, and also sketches the role of first-row transition metals in biology.
Download or read book Chemistry written by Bruce Averill and published by . This book was released on 2007 with total page 1233 pages. Available in PDF, EPUB and Kindle. Book excerpt: Emphasises on contemporary applications and an intuitive problem-solving approach that helps students discover the exciting potential of chemical science. This book incorporates fresh applications from the three major areas of modern research: materials, environmental chemistry, and biological science.
Book Synopsis Electronic Structure and Alloy Chemistry of the Transition Elements by : Metallurgical Society of AIME. Institute of Metals Division
Download or read book Electronic Structure and Alloy Chemistry of the Transition Elements written by Metallurgical Society of AIME. Institute of Metals Division and published by . This book was released on 1963 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Transition Metal and Excited State Electronic Structure Calulations Employing a Localized Bonding Perspective by : Christine M. Morales
Download or read book Transition Metal and Excited State Electronic Structure Calulations Employing a Localized Bonding Perspective written by Christine M. Morales and published by . This book was released on 2005 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electronic Structure and Reactivity of Transition Metal Complexes Incorporating Pro-radical Bis-phenoxide Ligands by : Ryan Michael Clarke
Download or read book Electronic Structure and Reactivity of Transition Metal Complexes Incorporating Pro-radical Bis-phenoxide Ligands written by Ryan Michael Clarke and published by . This book was released on 2018 with total page 194 pages. Available in PDF, EPUB and Kindle. Book excerpt: Transition metal complexes with pro-radical ligands have received considerable research attention due to their interesting electronic structures, photophysical properties, and applications in catalysis. The relative ordering of metal and ligand frontier orbitals in a complex incorporating pro-radical ligands dictates whether oxidation/reduction occurs at the metal centre or at the ligand. Many metalloenzymes couple redox events at multiple metal centres or between metals and pro-radical ligands to facilitate multielectron chemistry. Owing to the simplicity of the active sites, many structural and functional models have been studied. One class of pro-radical ligand that has been investigated extensively are bis-imine bis-phenoxide ligands (i.e. salen) due to their highly modular syntheses. In this thesis, projects related to the synthesis, electronic structure, and reactivity of mono and bimetallic complexes incorporating the salen framework are explored. Chapter 2 presents a systematic investigation of the effects of geometry on the electronic structure of four bis-oxidized bimetallic Ni salen species. The tunability of their intense intervalence charge transfer (IVCT) transitions in the near infrared (NIR) by nearly 400 nm due to exciton coupling in the excited states is described. For the first time, this study demonstrates the applicability of exciton coupling to ligand radical systems absorbing in the NIR region. Chapter 3 investigates the ground-state electronic structure of a bis-oxidized Co dimer. Enhanced metal participation to the singly occupied molecular orbitals results in both high spin Co(III) and Co(II)-L• character in the ground state, and no observable band splitting in the NIR due to exciton coupling. Finally, Chapter 4 describes a series of oxidized nitridomanganese(V) salen complexes with different para ring substituents (R = CF3, tBu, and NMe2), demonstrating that nitride activation is dictated by remote ligand electronics. Upon one-electron oxidation, electron deficient ligands afford a Mn(VI) species and nitride activation, whereas an electron-rich ligand results in ligand based oxidation and resistance to N coupling of the nitrides. This study highlights the alternative reactivity pathways that pro-radical ligands impose on metal complexes and represents a key step in the use of NH3 as a hydrogen storage medium. The results presented herein provide a starting point for further efforts in reactivity with the salen platform.
Book Synopsis Molecular Electronic Structures of Transition Metal Complexes by : Carl Johan Ballhausen
Download or read book Molecular Electronic Structures of Transition Metal Complexes written by Carl Johan Ballhausen and published by . This book was released on 1979 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The Organometallic Chemistry of the Transition Metals by : Robert H. Crabtree
Download or read book The Organometallic Chemistry of the Transition Metals written by Robert H. Crabtree and published by John Wiley & Sons. This book was released on 2005-06-14 with total page 600 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fully updated and expanded to reflect recent advances, this Fourth Edition of the classic text provides students and professional chemists with an excellent introduction to the principles and general properties of organometallic compounds, as well as including practical information on reaction mechanisms and detailed descriptions of contemporary applications.
Book Synopsis A Textbook of Inorganic Chemistry – Volume 1 by : Mandeep Dalal
Download or read book A Textbook of Inorganic Chemistry – Volume 1 written by Mandeep Dalal and published by Dalal Institute. This book was released on 2017-01-01 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: An advanced-level textbook of inorganic chemistry for the graduate (B.Sc) and postgraduate (M.Sc) students of Indian and foreign universities. This book is a part of four volume series, entitled "A Textbook of Inorganic Chemistry – Volume I, II, III, IV". CONTENTS: Chapter 1. Stereochemistry and Bonding in Main Group Compounds: VSEPR theory, dπ -pπ bonds, Bent rule and energetic of hybridization. Chapter 2. Metal-Ligand Equilibria in Solution: Stepwise and overall formation constants and their interactions, Trends in stepwise constants, Factors affecting stability of metal complexes with reference to the nature of metal ion and ligand, Chelate effect and its thermodynamic origin, Determination of binary formation constants by pH-metry and spectrophotometry. Chapter 3. Reaction Mechanism of Transition Metal Complexes – I: Inert and labile complexes, Mechanisms for ligand replacement reactions, Formation of complexes from aquo ions, Ligand displacement reactions in octahedral complexes- acid hydrolysis, Base hydrolysis, Racemization of tris chelate complexes, Electrophilic attack on ligands. Chapter 4. Reaction Mechanism of Transition Metal Complexes – II: Mechanism of ligand displacement reactions in square planar complexes, The trans effect, Theories of trans effect, Mechanism of electron transfer reactions – types; Outer sphere electron transfer mechanism and inner sphere electron transfer mechanism, Electron exchange. Chapter 5. Isopoly and Heteropoly Acids and Salts: Isopoly and Heteropoly acids and salts of Mo and W: structures of isopoly and heteropoly anions. Chapter 6. Crystal Structures: Structures of some binary and ternary compounds such as fluorite, antifluorite, rutile, antirutile, crystobalite, layer lattices- CdI2, BiI3; ReO3, Mn2O3, corundum, pervoskite, Ilmenite and Calcite. Chapter 7. Metal-Ligand Bonding: Limitation of crystal field theory, Molecular orbital theory, octahedral, tetrahedral or square planar complexes, π-bonding and molecular orbital theory. Chapter 8. Electronic Spectra of Transition Metal Complexes: Spectroscopic ground states, Correlation and spin-orbit coupling in free ions for Ist series of transition metals, Orgel and Tanabe-Sugano diagrams for transition metal complexes (d1 – d9 states), Calculation of Dq, B and β parameters, Effect of distortion on the d-orbital energy levels, Structural evidence from electronic spectrum, John-Tellar effect, Spectrochemical and nephalauxetic series, Charge transfer spectra, Electronic spectra of molecular addition compounds. Chapter 9. Magantic Properties of Transition Metal Complexes: Elementary theory of magneto - chemistry, Guoy’s method for determination of magnetic susceptibility, Calculation of magnetic moments, Magnetic properties of free ions, Orbital contribution, effect of ligand-field, Application of magneto-chemistry in structure determination, Magnetic exchange coupling and spin state cross over. Chapter 10. Metal Clusters: Structure and bonding in higher boranes, Wade’s rules, Carboranes, Metal Carbonyl Clusters - Low Nuclearity Carbonyl Clusters, Total Electron Count (TEC). Chapter 11. Metal-π Complexes: Metal carbonyls, structure and bonding, Vibrational spectra of metal carbonyls for bonding and structure elucidation, Important reactions of metal carbonyls; Preparation, bonding, structure and important reactions of transition metal nitrosyl, dinitrogen and dioxygen complexes; Tertiary phosphine as ligand.
Book Synopsis Machine Learning in Chemistry by : Jon Paul Janet
Download or read book Machine Learning in Chemistry written by Jon Paul Janet and published by American Chemical Society. This book was released on 2020-05-28 with total page 189 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in machine learning or artificial intelligence for vision and natural language processing that have enabled the development of new technologies such as personal assistants or self-driving cars have brought machine learning and artificial intelligence to the forefront of popular culture. The accumulation of these algorithmic advances along with the increasing availability of large data sets and readily available high performance computing has played an important role in bringing machine learning applications to such a wide range of disciplines. Given the emphasis in the chemical sciences on the relationship between structure and function, whether in biochemistry or in materials chemistry, adoption of machine learning by chemistsderivations where they are important
Book Synopsis Elucidating the Electronic Structure of Transition Metal Complexes Featuring Redox Active Ligands by : Linus Kai Ho Chiang
Download or read book Elucidating the Electronic Structure of Transition Metal Complexes Featuring Redox Active Ligands written by Linus Kai Ho Chiang and published by . This book was released on 2014 with total page 187 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this thesis a number of projects involving the design and characterization of complexes bearing redox active ligands are described. Focusing on the phenolate containing ligands, the properties and electronic structure of their corresponding metal complexes were studied by a series of experimental (i.e. electrochemistry, UV-Vis-NIR, EPR, rR etc.) and theoretical (DFT) methods. Specifically, the redox processes of these metal complexes were tuned by varying the para-ring substituents. In one study, nickel-salen (salen is a common abbreviation for N2O2 bis-Schiff-base bis-phenolate ligands) complexes were investigated, where the oxidation potentials of the ligand were predictably decreased as the electron donating ability of the para-ring substituents was increased (NMe2 > OMe > tBu > CF3). Interestingly, the oxidation of these geometrically-symmetric complexes afforded an asymmetric electronic structure in a number of cases, in which the ligand radical was localized on one phenolate rather than delocalized across the ligand framework. This difference in electronic structure was found to be dependent on the electron donating ability of the substituents; a delocalized ligand radical was observed for electron-withdrawing substituents and a localized ligand radical for strongly donating substituents. These studies highlight that para-ring substituents can be used to tune the electronic structure (metal vs. ligand based, localized vs. delocalized radical character) of metallosalen complexes. To evaluate if this electronic tuning can be applied to the metal center, a series of cobalt complexes of these salen ligands were prepared. Indeed, the electronic properties of the metal center were also significantly affected by para-ring substitution. These cobalt-salen complexes were tested as catalysts in organometallic radical-mediated polymerizations, where the most electron rich complexes displayed the best conversion rates. With a firm understanding of the role that the para-ring substituent can play in influencing the electronic structure and reactivity of metallosalen complexes in catalysis, two novel iron complexes, which contain a number of redox active phenolate fragments, were prepared. In addition, these iron-complexes feature a chiral bipyrrolidine backbone. Ligands with this chiral diamine backbone bind metals ions diastereoselectively owing to its increased rigidity, which is critical to stereoselectivity in catalysis. A symmetric (with two phenolates) ligand was prepared by reported methods, and a novel route to synthesize an asymmetric ligand (one phenolate and one pyridine) from symmetric starting materials was established. The neutral iron-complexes were found to be high spin (S = 5/2), and can undergo ligand based oxidation to form an antiferromagnetically-coupled (Stotal = 2) species. The results presented will serve as the basis for catalyst development using complexes of similar ligands.
