How does nature manage to produce reactions from "difficult" substrates? How are stable molecules involved in low-temperature, low-pressure chemical reactions? How can a chemist stop a chemical reaction short of oxidation? Adopting the premise that there is a chemical analog for any naturally occurring enzymatic process, a renowned chemist answers these and other challenging questions in Metal Complexes in Biomimetic Chemical Reactions. Based on reactions this eminent author has studied in the laboratory during his long and distinguished career, this fascinating book explains chemical analogs as they apply to their biological counterparts. This volume covers basic chemical reactions found in nature, including: molecular nitrogen reduction in solution; selective hydrocarbon oxidation (including methane); and photodecomposition of water. Numerous drawings, equations, and structures enhance the text. The importance of chemical reactions lies in their extrapolation to natural processes; once we identify the chemical analog, we can devise ecologically sound alternatives to natural chemical reactions.

Fundamentals of Chemistry theme in two volumes, is a component of Encyclopedia of Chemical Sciences, Engineering and Technology Resources in the global Encyclopedia of Life Support Systems (EOLSS), which is an integrated compendium of twenty one Encyclopedias. The Theme is organized into six different topics which represent the main scientific areas : History and Fundamentals of Chemistry; Chemical Experimentation and Instrumentation; Theoretical Approach to Chemistry; Chemical Thermodynamics; Rates of Chemical Reactions; Chemical Synthesis of Substances. These two volumes are aimed at the following five major target audiences: University and College students Educators, Professional practitioners, Research personnel and Policy analysts, managers, and decision makers and NGOs

Chapter 1: Understanding the Utility of Hydrogen Bonding Donors in the Secondary Coordination Sphere of Non-heme Metal Complexes Chapter 1 is a mini-review that covers systematic studies on the effect of hydrogen bonding donors on the properties of metal complexes. Generalizing across different metals studied in biomimetic chemistry, the review allows for the comparison between different systems and generalizations are drawn about the effects of secondary coordination sphere hydrogen bond donors. Chapter 2: 19F NMR Study of Ligand Dynamics in Carboxylate-Bridged Diiron(II) Complexes Supported by a Macrocyclic Ligand A series of asymmetrically carboxylate-bridged diiron(II) complexes featuring fluorine atoms as NMR spectroscopic probes, [chemical formula ...] (10), [chemical formula ...] (11), and [chemical formula ...] (12) were prepared and characterized by X-ray crystallography, M6ssbauer spectroscopy, and VT 19F NMR spectroscopy. These complexes are part of a rare family of syn-N diiron(II) complexes, [chemical formula ...], that are structurally very similar to the active site of MMOHred. Solution characterization of these complexes demonstrates that they undergo intramolecular carboxylate rearrangements, or carboxylate shifts, a dynamic feature relevant to the reactivity of the diiron centers in bacterial multicomponent monooxygenases. Chapter 3: Structural Characterization of Carboxylate-Bridged and Hydroxo-Bridged Dizinc(II) Complexes Supported by a Macrocyclic Ligand Using a syn-N dinucleating macrocyclic ligand, H2PIM, a doubly carboxylate-bridged dizinc(II) complex, [chemical formula ...] (6) was prepared. In crystallizations of 6, two pseudoisomorphs of [chemical formula ...] (7) were discovered. On route to the synthesis of 6, a zinc complex, [chemical formula ...] (4) was prepared and the product upon reaction with air, [chemical formula ...] (5), was crystallized. Chapter 4: Secondary Coordination Sphere Modulation of Redox Potentials in Azide-Bridged Diiron(II) Complexes Observation that the H2PIM macrocyclic ligand provides an extra binding site for the binding of small molecules adjacent to corresponding diiron(II) complexes inspired the appendage of a secondary coordination sphere hydroxyl group to the ligand. The new ligand, H3PIM2, models not only the primary coordination sphere of the diiron sites of methane monooxygenase and toluene/o-xylene monooxygenase, but also that of a local threonine in the secondary coordination sphere. This chapter explores the differences between the PIM system and PIM2 system through the electrochemistry of the azido diiron(II) derviatives. Chapter 5: Synthesis and Characterization of a Linear Dinitrosyl-Triiron Complex Nitric oxide is released during the immune response by the host during bacterial infection. To counteract this response, bacteria have evolved nitric oxide reductases to convert NO to N2O. Some of these nitric oxide reductases contain a flavodiiron active site that have bridging carboxylates and hydroxides. Only a handful of synthetic complexes currently exist as models for the protein reactivity. Here we report the reaction of [chemical formula ...] (4) with NO(g) and Ph3CSNO to prepare the dinitrosyl-triiron complex [chemical formula ...] (5). The reaction was monitored by U V-Vis and ReactIR spectroscopy and compound 5 was characterized by X-ray crystallography, 5 7Fe M6ssbauer spectroscopy, Evans' method, and FTIR spectroscopy. The IR spectrum of compound 5 compares favorably to experimental spectroscopic data obtained for the proposed mononitrosylated intermediate of the protein. Chapter 6: Doubly and Triply Carboxylate Bridged Bis(ethylzinc) Complexes and Formation of the ([mu]-Oxo)tetrazinc Carboxylate [chemical formula ...] Ethylzinc 2,6-bis(p-tolyl)benzoate converts between two forms in solution. Through NMR spectroscopic techniques and X-ray crystallography, the species in equilibrium were identified as [chemical formula ...] (1), [chemical formula ...] (2), and diethyl zinc [chemical formula ...]. The equilibrium provides a model for understanding the speciation between doubly and triply m-terphenylcarboxylate-bridged diiron(II) and mononuclear iron(II) complexes. Evidence is presented for the occurrence of coordinatively unsaturated trigonal zinc species in solution. Both 1 and 2 decompose in air to form the T-symmetric oxozinc carboxylate, [chemical formula ...] (3). Appendix A: Synthesis and Characterization of Mononuclear, Pseudotetrahedral Cobalt(III) Compounds The preparation and characterization of two mononuclear cobalt(III) tropocoronand complexes, [chemical formula ...] and [chemical formula ...], are reported. The cobalt(III) centers exist in rare pseudotetrahedral conformations, with twist angles of 65° and 74° for the [Co(TC-5,5]+ and [Co(TC-6,6)]+ species, respectively. Structural and electrochemical characteristics are compared with those of newly synthesized [chemical formula ...] and [chemical formula ...] analogs. The spin state of the pseudotetrahedral [chemical formula ...] was determined to be S = 2, a change in spin state from the value of S = 1 that occurs in the square-planar and distorted square-planar complexes, [chemical formula ...] and [chemical formula ...], respectively. Appendix B: Synthetic Strategies toward Sterically Demanding Macrocyclic Ligands In order to prevent the formation of iron complexes of nuclearity higher than 2, a picket-fence macrocyclic ligand, H2tipp4PIM was designed. This chapter discusses the progress towards the synthesis of this ligand as well as design strategies.

Astrochemistry and Astrobiology is the debut volume in the new series Physical Chemistry in Action. Aimed at both the novice and experienced researcher, this volume outlines the physico-chemical principles which underpin our attempts to understand astrochemistry and predict astrobiology. An introductory chapter includes fundamental aspects of physical chemistry required for understanding the field. Eight further chapters address specific topics, encompassing basic theory and models, up-to-date research and an outlook on future work. The last chapter examines each of the topics again but addressed from a different angle. Written and edited by international experts, this text is accessible for those entering the field of astrochemistry and astrobiology, while it still remains interesting for more experienced researchers.

A comprehensive book that explores nitrogen fixation by using transition metal-dinitrogen complexes Nitrogen fixation is one of the most prominent fields of research in chemistry. This book puts the focus on the development of catalytic ammonia formation from nitrogen gas under ambient reaction conditions that has been recently repowered by some research groups. With contributions from noted experts in the field, Transition Metal-Dinitrogen Complexes offers an important guide and comprehensive resource to the most recent research and developments on the topic of nitrogen fixation by using transition metal-dinitrogen. The book is filled with the information needed to understand the synthesis of transition metal-dinitrogen complexes and their reactivity. This important book: -Offers a resource for understanding nitrogen fixation chemistry that is essential for explosives, pharmaceuticals, dyes, and all forms of life -Includes the information needed for anyone interested in the field of nitrogen fixation by using transition metal-dinitrogen complexes -Contains state-of-the-art research on synthesis of transition metal-dinitrogen complexes and their reactivity in nitrogen fixation -Incorporates contributions from well-known specialists and experts with an editor who is an innovator in the field of dinitrogen chemistry Written for chemists and scientists with an interest in nitrogen fixation, Transition Metal-Dinitrogen Complexes is a must-have resource to the burgeoning field of nitrogen fixation by using transition metal-dinitrogen complexes.

Ammonia is one of the 10 largest commodity chemicals produced. The editor, Anders Nielsen, is research director with one of the largest industrial catalyst producers. He has compiled a complete reference on all aspects of catalytical ammonia production in industry, from thermodynamics and kinetics to reactor and plant design. One chapter deals with safety aspects of ammonia handling and storage.

Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. Including a comprehensive treatment of pressure dependent reactions, which are frequently not incorporated into detailed chemical kinetic models, and the use of modern computational quantum chemistry, which has recently become an extraordinarily useful component of the reaction kinetics toolkit. It is intended both for those who need to model complex chemical reaction processes but have little background in the area, and those who are already have experience and would benefit from having a wide range of useful material gathered in one volume. The range of subject matter is wider than that found in many previous treatments of this subject. The technical level of the material is also quite wide, so that non-experts can gain a grasp of fundamentals, and experts also can find the book useful. - A solid introduction to kinetics - Material on computational quantum chemistry, an important new area for kinetics - Contains a chapter on construction of mechanisms, an approach only found in this book

Every day, large quantities of volatile organic compounds (VOCs) are emitted into the atmosphere from both anthropogenic and natural sources. The formation of gaseous and particulate secondary products caused by oxidation of VOCs is one of the largest unknowns in the quantitative prediction of the earth’s climate on a regional and global scale, and on the understanding of local air quality. To be able to model and control their impact, it is essential to understand the sources of VOCs, their distribution in the atmosphere and the chemical transformations which remove these compounds from the atmosphere. In recent years techniques for the analysis of organic compounds in the atmosphere have been developed to increase the spectrum of detectable compounds and their detection limits. New methods have been introduced to increase the time resolution of those measurements and to resolve more complex mixtures of organic compounds. Volatile Organic Compounds in the Atmosphere describes the current state of knowledge of the chemistry of VOCs as well as the methods and techniques to analyse gaseous and particulate organic compounds in the atmosphere. The aim is to provide an authoritative review to address the needs of both graduate students and active researchers in the field of atmospheric chemistry research.

This book brings together, for the first time, the results of recent research in areas ranging from the chemistry of cold interstellar clouds (10-20 K), through laboratory studies of the spectroscopy and kinetics of ions, radicals and molecules, to studies of molecules in liquid helium droplets, to attempts to create molecular (as distinct from atomic) Bose-Einstein condensates.