8. Chemical Bonding
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Brief Guide to the Nomenclature of Organic Chemistry
1 Brief Guide to the Nomenclature of Table 1: Components of the substitutive name Organic Chemistry (4S,5E)-4,6-dichlorohept-5-en-2-one for K.-H. Hellwich (Germany), R. M. Hartshorn (New Zealand), CH3 Cl O A. Yerin (Russia), T. Damhus (Denmark), A. T. Hutton (South 4 2 Africa). E-mail: [email protected] Sponsoring body: Cl 6 CH 5 3 IUPAC Division of Chemical Nomenclature and Structure suffix for principal hept(a) parent (heptane) one Representation. characteristic group en(e) unsaturation ending chloro substituent prefix 1 INTRODUCTION di multiplicative prefix S E stereodescriptors CHEMISTRY The universal adoption of an agreed nomenclature is a key tool for 2 4 5 6 locants ( ) enclosing marks efficient communication in the chemical sciences, in industry and Multiplicative prefixes (Table 2) are used when more than one for regulations associated with import/export or health and safety. fragment of a particular kind is present in a structure. Which kind of REPRESENTATION The International Union of Pure and Applied Chemistry (IUPAC) multiplicative prefix is used depends on the complexity of the provides recommendations on many aspects of nomenclature.1 The APPLIED corresponding fragment – e.g. trichloro, but tris(chloromethyl). basics of organic nomenclature are summarized here, and there are companion documents on the nomenclature of inorganic2 and Table 2: Multiplicative prefixes for simple/complicated entities polymer3 chemistry, with hyperlinks to original documents. An No. Simple Complicated No. Simple Complicated AND overall -
Physical and Analytical Electrochemistry: the Fundamental
Electrochemical Systems The simplest and traditional electrochemical process occurring at the boundary between an electronically conducting phase (the electrode) and an ionically conducting phase (the electrolyte solution), is the heterogeneous electro-transfer step between the electrode and the electroactive species of interest present in the solution. An example is the plating of nickel. Ni2+ + 2e- → Ni Physical and Analytical The interface is where the action occurs but connected to that central event are various processes that can Electrochemistry: occur in parallel or series. Figure 2 demonstrates a more complex interface; it represents a molecular scale snapshot The Fundamental Core of an interface that exists in a fuel cell with a solid polymer (capable of conducting H+) as an electrolyte. of Electrochemistry However, there is more to an electrochemical system than a single by Tom Zawodzinski, Shelley Minteer, interface. An entire circuit must be made and Gessie Brisard for measurable current to flow. This circuit consists of the electrochemical cell plus external wiring and circuitry The common event for all electrochemical processes is that (power sources, measuring devices, of electron transfer between chemical species; or between an etc). The cell consists of (at least) electrode and a chemical species situated in the vicinity of the two electrodes separated by (at least) one electrolyte solution. Figure 3 is electrode, usually a pure metal or an alloy. The location where a schematic of a simple circuit. Each the electron transfer reactions take place is of fundamental electrode has an interface with a importance in electrochemistry because it regulates the solution. Electrons flow in the external behavior of most electrochemical systems. -
Introduction to NMR Spectroscopy of Proteins
A brief introduction to NMR spectroscopy of proteins By Flemming M. Poulsen 2002 1 Introduction Nuclear magnetic resonance, NMR, and X-ray crystallography are the only two methods that can be applied to the study of three-dimensional molecular structures of proteins at atomic resolution. NMR spectroscopy is the only method that allows the determination of three-dimensional structures of proteins molecules in the solution phase. In addition NMR spectroscopy is a very useful method for the study of kinetic reactions and properties of proteins at the atomic level. In contrast to most other methods NMR spectroscopy studies chemical properties by studying individual nuclei. This is the power of the methods but sometimes also the weakness. NMR spectroscopy can be applied to structure determination by routine NMR techniques for proteins in the size range between 5 and 25 kDa. For many proteins in this size range structure determination is relatively easy, however there are many examples of structure determinations of proteins, which have failed due to problems of aggregation and dynamics and reduced solubility. It is the purpose of these notes to introduce the reader to descriptions and applications of the methods of NMR spectroscopy most commonly applied in scientific studies of biological macromolecules, in particular proteins. The figures 1,2 and 11 are copied from “Multidímensional NMR in Liquids” by F.J.M de Ven (1995)Wiley-VCH The Figure13 and Table 1 have been copied from “NMR of Proteins and Nucleic acis” K. Wüthrich (1986) Wiley Interscience The Figures 20, 21 and 22 have been copied from J. -
Chapter 1: Atoms, Molecules and Ions
Previous Chapter Table of Contents Next Chapter Chapter 1: Atoms, Molecules and Ions Section 1.1: Introduction In this course, we will be studying matter, “the stuff things are made of”. There are many ways to classify matter. For instance, matter can be classified according to the phase, that is, the physical state a material is in. Depending on the pressure and the temperature, matter can exist in one of three phases (solid, liquid, or gas). The chemical structure of a material determines the range of temperatures and pressures under which this material is a solid, a liquid or a gas. Consider water for example. The principal differences between water in the solid, liquid and gas states are simply: 1) the average distance between the water molecules; small in the solid and the liquid and large in the gas and 2) whether the molecules are organized in an orderly three-dimensional array (solid) or not (liquid and gas). Another way to classify matter is to consider whether a substance is pure or not. So, matter can be classified as being either a pure substance or a mixture. A pure substance has unique composition and properties. For example, water is a pure substance (whether from Texas or Idaho, each water molecule always contains 2 atoms of hydrogen for 1 atom of oxygen). Under the same atmospheric pressure and at the same ambient temperature, water always has the same density. We can go a little further and classify mixtures are either homogeneous or heterogeneous. In a homogeneous mixture, for example, as a result of mixing a teaspoon of salt in a glass of water, the composition of the various components and their properties are the same throughout. -
Electron Paramagnetic Resonance of Radicals and Metal Complexes. 2. International Conference of the Polish EPR Association. Wars
! U t S - PL — voZ, PL9700944 Warsaw, 9-13 September 1996 ELECTRON PARAMAGNETIC RESONANCE OF RADICALS AND METAL COMPLEXES 2nd International Conference of the Polish EPR Association INSTITUTE OF NUCLEAR CHEMISTRY AND TECHNOLOGY UNIVERSITY OF WARSAW VGL 2 8 Hi 1 2 ORGANIZING COMMITTEE Institute of Nuclear Chemistry and Technology Prof. Andrzej G. Chmielewski, Ph.D., D.Sc. Assoc. Prof. Hanna B. Ambroz, Ph.D., D.Sc. Assoc. Prof. Jacek Michalik, Ph.D., D.Sc. Dr Zbigniew Zimek University of Warsaw Prof. Zbigniew Kqcki, Ph.D., D.Sc. ADDRESS OF ORGANIZING COMMITTEE Institute of Nuclear Chemistry and Technology, Dorodna 16,03-195 Warsaw, Poland phone: (0-4822) 11 23 47; telex: 813027 ichtj pi; fax: (0-4822) 11 15 32; e-mail: [email protected] .waw.pl Abstracts are published in the form as received from the Authors SPONSORS The organizers would like to thank the following sponsors for their financial support: » State Committee of Scientific Research » Stiftung fur Deutsch-Polnische Zusammenarbeit » National Atomic Energy Agency, Warsaw, Poland » Committee of Chemistry, Polish Academy of Sciences, Warsaw, Poland » Committee of Physics, Polish Academy of Sciences, Poznan, Poland » The British Council, Warsaw, Poland » CIECH S.A. » ELEKTRIM S.A. » Broker Analytische Messtechnik, Div. ESR/MINISPEC, Germany 3 CONTENTS CONFERENCE PROGRAM 9 LECTURES 15 RADICALS IN DNA AS SEEN BY ESR SPECTROSCOPY M.C.R. Symons 17 ELECTRON AND HOLE TRANSFER WITHIN DNA AND ITS HYDRATION LAYER M.D. Sevilla, D. Becker, Y. Razskazovskii 18 MODELS FOR PHOTOSYNTHETIC REACTION CENTER: STEADY STATE AND TIME RESOLVED EPR SPECTROSCOPY H. Kurreck, G. Eiger, M. Fuhs, A Wiehe, J. -
Astrochemistry in Galaxies of the Local Universe Authors: David S
Astrochemistry in Galaxies of the Local Universe Authors: David S. Meier (New Mexico Tech), Jean Turner (UCLA), An- thony Remijan (NRAO), Juergen Ott (NRAO) and Alwyn Wootten (NRAO) Contact Author: David S. Meier New Mexico Institute of Mining and Technology Phone: 575-835-5340 Fax: 575-835-5707 E-mail: [email protected] Science Frontier Area: Galactic Neighborhood Abstract To understand star formation in galaxies we must know the molecular fuel out of which the stars form. Telescopes coming online in the upcoming decade will enable us to understand the molecular ISM from a new and powerful global perspective. In this white paper we focus on the use of astrochemistry—the observation, analysis and theoretical modeling of many molecular lines and their correlations—to answer some of the outstanding questions regarding the evolution of star formation and galactic structure in nearby galaxies. The 2 mm spectral line survey of the nearby starburst spiral, NGC 253 (Martin et al. 2006), overlaid on the 2 MASS near infrared JHK color image. The spectrum shows the richness of the millimeter spectrum. 1 Introduction Galactic structure and its evolution across cosmic time is driven by the gaseous component of galaxies. Our knowledge of the gaseous universe beyond the Milky Way is sketchy at present. Least studied of all is molecular gas, the component most closely linked to star formation. How has the gaseous structure of galaxies changed through cosmic time? What is the nature of intergalactic gas and its interaction with galaxies? How do galaxies accrete gas to form disks, giant molecular clouds (GMCs), stars and star clusters? How are GMCs affected by their environment? What is the relative importance of secular evolution and impulsive dynamical interactions in the histories of different kinds of galaxies? In this white paper we focus on how to concretely address these questions through astrochemistry. -
How to Read and Interpret FTIR Spectroscope of Organic Material
97| Indonesian JournalIndonesian of Science Journal & Technology of Science &,Volum Technologye 4 Issue 4 ( 11,) (20April19 )2019 97-1 18Page 97-118 Indonesian Journal of Science & Technology Journal homepage: http://ejournal.upi.edu/index.php/ijost/ How to Read and Interpret FTIR Spectroscope of Organic Material Asep Bayu Dani Nandiyanto, Rosi Oktiani, Risti Ragadhita Departemen Kimia, Universitas Pendidikan Indonesia, Jl. Dr. Setiabudi no 229 Bandung 40154, Indonesia Correspondence: E-mail: [email protected] A B S T R A C T S A R T I C L E I N F O Article History: Fourier Transform Infrared (FTIR) has been developed as a Received 10 Jan 2019 tool for the simultaneous determination of organic Revised 20 Jan 2019 components, including chemical bond, as well as organic Accepted 31 Aug 2019 Available online 09 Apr 2019 content (e.g., protein, carbohydrate, and lipid). However, ____________________ until now, there is no further documents for describing the Keywords: detailed information in the FTIR peaks. The objective of this FTIR, study was to demonstrate how to read and assess chemical infrared spectrum, organic material, bond and structure of organic material in the FTIR, in which chemical bond, the analysis results were then compared with the literatures. organic structure. The step-by-step method on how to read the FTIR data was also presented, including reviewing simple to the complex organic materials. This study is potential to be used as a standard information on how to read FTIR peaks in the biochemical and organic materials. © 2019Tim Pengembang Jurnal UPI 1. INTRODUCTION analysis is quite rapid, good in accuracy, and relatively sensitive (Jaggi and Vij, 2006). -
Numerical Methods in Electron Magnetic Resonance
NO0000039 NUMERICAL METHODS IN ELECTRON MAGNETIC RESONANCE ANALYSES AND SIMULATIONS IN QUEST OF STRUCTURAL AND DYNAMICAL PROPERTIES OF FREE RADICALS IN SOLIDS BY ANDERS RASMUS S0RNES Thesis submitted for the degree Doctor scientiarum Department of Physics, University of Oslo 1998 31-18 Preface This thesis encompasses a collection of six theoretical and experimental Electron Magnetic Resonance (EMR) studies of the structure and dynamics of free radicals in solids. Radicals are molecular systems having one or more unpaired electron. Due to their energetically unfavourable open shell configuration, they are highly reactive. Radicals are formed in different ways. They are believed to be present in many chemical reactions as short-lived intermediate products, and they are also produced in interactions of x-radiation with matter, in Compton and photoelectric processes and interactions of their secondary electrons. Longer-lived, quasistable radicals do also exist and these may be used as spin-labels or spin-probes and may be attached to larger molecules and surfaces as measurement probes to examine the environment in their immediate vicinity. EMR is a collective term for a group of spectroscopic techniques inducing and observing transitions between the Zeeman levels of a paramagnetic system, such as a radical situated in an external magnetic field. Whithin the broader concept of EMR, the particular experimental techniques of Electron Paramagnetic Resonance (EPR), ELectron Nuclear DOuble Resonance (ENDOR), Field Swept ENDOR (FSE) and Electron Spin Echo Envelope Modulation (ESEEM) are discussed in this thesis. The focal point of this thesis is the development and use of numerical methods in the analysis, simulation and interpretation of EMR experiments on radicals in solids to uncover the structure, the dynamics and the environment of the system. -
Fourier Transform Infrared (FTIR) Spectroscopy Analysis of Transformer Paper in Mineral Oil-Paper Composite Insulation Under Accelerated Thermal Aging
energies Article Fourier Transform Infrared (FTIR) Spectroscopy Analysis of Transformer Paper in Mineral Oil-Paper Composite Insulation under Accelerated Thermal Aging Abi Munajad * ID , Cahyo Subroto ID and Suwarno ID School of Electrical Engineering and Informatics, Institut Teknologi Bandung, Bandung 40132, Indonesia; [email protected] (C.S.); [email protected] (S.) * Correspondence: [email protected]; Tel.: +62-857-465-76059 Received: 26 December 2017; Accepted: 29 January 2018; Published: 4 February 2018 Abstract: Mineral oil is the most popular insulating liquid for high voltage transformers due to its function as a cooling liquid and an electrical insulator. Kraft paper has been widely used as transformer solid insulation for a long time already. The degradation process of transformer paper due to thermal aging in mineral oil can change the physical and chemical structure of the cellulose paper. Fourier transform infrared (FTIR) spectroscopy analysis was used to identify changes in the chemical structure of transformer paper aged in mineral oil. FTIR results show that the intensity of the peak absorbance of the O–H functional group decreased with aging but the intensity of the peak absorbance of the C–H and C=O functional groups increased with aging. Changes in the chemical structure of the cellulose paper during thermal aging in mineral oil can be analyzed by an oxidation process of the cellulose paper and the reaction process between the carboxylic acids in the mineral oil and the hydroxyl groups on the cellulose. The correlation between the functional groups and the average number of chain scissions of transformer paper gives initial information that the transformer paper performance can be identified by using a spectroscopic technique as a non-destructive diagnostic technique. -
Syllabus Chem 646
SYLLABUS CHEM 646 Course title and number Physical Organic Chemistry, CHEM 646 Term Fall 2019 Meeting times and location MWF 10:20 am – 11:10 am, Room: CHEM 2121 Course Description and Learning Outcomes Prerequisites: Organic Chemistry I and II or equivalent undergraduate organic chemistry courses. Physical Organic Chemistry (CHEM646) is a graduate/senior-undergrad level course of advanced organic chemistry. Physical organic chemistry refers to a discipline of organic chemistry that focuses on the relationship between chemical structure and property/reactivity, in particular, applying experimental and theoretical tools of physical chemistry to the study of organic molecules and reactions. Specific focal points of study include the bonding and molecular orbital theory of organic molecules, stability of organic species, transition states, and reaction intermediates, rates of organic reactions, and non-covalent aspects of solvation and intermolecular interactions. CHEM646 is designed to prepare students for graduate research on broadly defined organic chemistry. This course will provide the students with theoretical and practical frameworks to understand how organic structures impact the properties of organic molecules and the mechanism for organic reactions. By the end of this course, students should be able to: 1. Gain in-depth understanding of the nature of covalent bonds and non-covalent interactions 2. Use molecule orbital theory to interpret the property and reactivity of organic species. 3. Understand the correlation between the structure and physical/chemical properties of organic molecules, such as stability, acidity, and solubility. 4. Predict the reactivity of organic molecules using thermodynamic and kinetic analyses 5. Probe the mechanism of organic reactions using theoretical and experimental approaches. -
Chapter 12. Decoding Organic Structures: the Functional Groups
CHAPTER 12. DECODING ORGANIC STRUCTURES: THE FUNCTIONAL GROUPS Functional Groups: The Key To Understanding Organic Molecules Since life on this planet is based on compounds of the element carbon, the study of these compounds, called organic chemistry, is an important area of chemistry.The ability of carbon to form single or multiple covalent bonds with itself to form chains of varying length, and even rings of varying size, leads to great versatility in the size and shape of carbon-based molecules. In this chapter we consider the bonds carbon forms with other elements, further expanding the number and types of possible compounds. The number of compounds formed by carbon is so great that it far exceeds the number of all the compounds formed by all the other elements. Some of these compounds contain thousands of atoms. How are we to begin to understand this myriad of complex molecules? The backbone of any organic compound is its carbon structure, whether in long chains, branched chains, rings, or some combination of these. In nature only a few elements other than carbon are found in most organic compounds: oxygen and nitrogen are the most common of these, along with sulfur and phosphorous. These tend to be found most commonly in only a few arrangements called functional groups. When the structure of an organic compound is drawn, frequently the carbon backbone is indicated only by a structural skeleton, with symbols for the carbon atoms left out. Usually hydrogen atoms attached to carbon atoms are left out, too. Only the atoms and bonds belonging to the functional groups are shown in detail. -
Guidelines for Terms Related to Chemical Speciation and Fractionation of Elements. Definitions, Structural Aspects, and Methodological Approaches
Pure Appl. Chem., Vol. 72, No. 8, pp. 1453–1470, 2000. © 2000 IUPAC INTERNATIONAL UNION FOR PURE AND APPLIED CHEMISTRY ANALYTICAL CHEMISTRY DIVISION COMMISSION ON MICROCHEMICAL TECHNIQUES AND TRACE ANALYSIS CHEMISTRY AND THE ENVIRONMENT DIVISION COMMISSION ON FUNDAMENTAL ENVIRONMENTAL CHEMISTRY CHEMISTRY AND HUMAN HEALTH DIVISION CLINICAL CHEMISTRY SECTION, COMMISSION ON TOXICOLOGY GUIDELINES FOR TERMS RELATED TO CHEMICAL SPECIATION AND FRACTIONATION OF ELEMENTS. DEFINITIONS, STRUCTURAL ASPECTS, AND METHODOLOGICAL APPROACHES (IUPAC Recommendations 2000) Prepared for publication by DOUGLAS M. TEMPLETON1, FREEK ARIESE2, RITA CORNELIS3*, LARS-GÖRAN DANIELSSON4, HERBERT MUNTAU5, HERMAN P. VAN LEEUWEN6, AND RYSZARD ŁOBIŃSKI7 1Department of Laboratory Medicine and Pathobiology, University of Toronto, Canada; 2Department of Analytical Chemistry and Applied Spectroscopy, Vrije Universiteit Amsterdam, the Netherlands; 3Laboratory for Analytical Chemistry, Faculty of Sciences, University of Gent, Belgium; 4Department of Analytical Chemistry, Royal Institute of Technology, Stockholm, Sweden; 5Environmental Institute, Joint Research Centre Ispra, (VA) Italy; 6Department of Physical Chemistry and Colloid Science, Wageningen Agricultural University, the Netherlands; 7CNRS UMR 5034, Hélioparc, Pau, France, and Department of Chemistry, Warsaw University of Technology, Warszawa, Poland *Corresponding author: Laboratory for Analytical Chemistry, RUG, Proeftuinstraat 86, B-9000 Gent, Belgium; E-mail: [email protected] Republication or reproduction of this report or its storage and/or dissemination by electronic means is permitted without the need for formal IUPAC permission on condition that an acknowledgment, with full reference to the source along with use of the copyright symbol ©, the name IUPAC, and the year of publication, are prominently visible. Publication of a translation into another language is subject to the additional condition of prior approval from the relevant IUPAC National Adhering Organization.