DOCSLIB.ORG

Topics in Current Chemistry

Total Page：16

File Type：pdf, Size：1020Kb

Download full-text PDF Read full-text
Topics in Current Chemistry 358 Topics in Current Chemistry Editorial Board: H. Bayley, Oxford, UK K.N. Houk, Los Angeles, CA, USA G. Hughes, CA, USA C.A. Hunter, Sheffield, UK K. Ishihara, Chikusa, Japan M.J. Krische, Austin, TX, USA J.-M. Lehn, Strasbourg Cedex, France R. Luque, Cordoba, Spain M. Olivucci, Siena, Italy J.S. Siegel, Nankai District, China J. Thiem, Hamburg, Germany M. Venturi, Bologna, Italy C.-H. Wong, Taipei, Taiwan H.N.C. Wong, Shatin, Hong Kong Aims and Scope The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage includes all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether at the university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented. A description of the laboratory procedures involved is often useful to the reader. The coverage should not be exhaustive in data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Discussion of possible future research directions in the area is welcome. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students. More information about this series at http://www.springer.com/series/128 Pierangelo Metrangolo • Giuseppe Resnati Editors Halogen Bonding I Impact on Materials Chemistry and Life Sciences With contributions by C.B. Aakeroy€ Á D.L. Bryce Á G. Cavallo Á T. Clark Á W. Herrebout Á J.G. Hill Á P.S. Ho Á A.V. Jentzsch Á A.C. Legon Á S. Matile Á P. Metrangolo Á J.S. Murray Á T. Pilati Á P. Politzer Á G. Resnati Á C.L. Spartz Á G. Terraneo Á D.P. Tew Á J. Viger-Gravel Á N.R. Walker Editors Pierangelo Metrangolo Giuseppe Resnati Laboratory of Nanostructured Laboratory of Nanostructured Fluorinated Fluorinated Materials (NFMLab) Materials (NFMLab) Department of Chemistry, Materials, Department of Chemistry, Materials, and and Chemical Engineering “Giulio Natta” Chemical Engineering “Giulio Natta” Politecnico di Milano Politecnico di Milano Milano, Italy Milano, Italy ISSN 0340-1022 ISSN 1436-5049 (electronic) Topics in Current Chemistry ISBN 978-3-319-14056-8 ISBN 978-3-319-14057-5 (eBook) DOI 10.1007/978-3-319-14057-5 Library of Congress Control Number: 2015933504 Springer Cham Heidelberg New York Dordrecht London © Springer International Publishing Switzerland 2015 This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed. The use of general descriptive names, registered names, trademarks, service marks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. The publisher, the authors and the editors are safe to assume that the advice and information in this book are believed to be true and accurate at the date of publication. Neither the publisher nor the authors or the editors give a warranty, express or implied, with respect to the material contained herein or for any errors or omissions that may have been made. Printed on acid-free paper Springer International Publishing AG Switzerland is part of Springer Science+Business Media (www.springer.com) Preface Typically, halogen atoms in haloorganics are considered as sites of high electron density because of their high electronegativity. Consistent with this well- established understanding, it is commonly accepted that halogen atoms can form attractive interactions by functioning as an electron-donor site (nucleophilic site). In fact, halogen atoms can work as hydrogen-bond acceptors and some cases of these interactions were recognized as early as the 1920s [1–4]. Halogen atoms of halocarbons also function as an electron-donor site when interacting with other elements, e.g., when entering the first coordination sphere of alkali metal cations1 or alkaline earth metal cations. However, the electron density in covalently bound halogens is anisotropically distributed [5–7]. There is a region of higher electron density, which forms a negative belt orthogonal to the covalent bond involving the halogen atom, and a region of lower electron density, which generates a cap on the elongation of the covalent bond (the so-called σ-hole) where the electrostatic potential is frequently positive (mainly in the heavier halogens). (This description of the distribution of the electron density holds for halogen atoms forming one covalent bond. For a discus- sion of polyvalent halogens see [8, 9].) This region can form attractive interactions with electron-rich sites but the general ability of halogen atoms to function as the electron acceptor site (electrophilic site) in attractive interactions has been fully recognized only recently. In 2009 the International Union of Pure and Applied Chemistry (IUPAC) started a project aiming “to take a comprehensive look at intermolecular interactions involving halogens as electrophilic species and classify them” [10]. An IUPAC Recommendation defining these interactions as halogen bonds [11] was delivered in 2013 when the project was concluded: This definition 1 A CSD search (CSD version 5.34, November 2012 plus one update, ConQuest version 1.15) for Y∙∙∙X-C short contacts (Y¼Li+,Na+,K+,Rb+,Cs+ and X¼Cl, Br, I) gave 140 hits and 296 counts, and revealed that the median value of the Y∙∙∙X-C angle is 103.08 (only structures with Y∙∙∙C > 3.0 Å were considered). Cations enter the most negative region of the halogen atom (i.e., the belt orthogonal to the X–C bond), thus confirming that the halogen atom is working as the nucleophile. v vi Preface states that “A halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity.” The IUPAC definition categorizes unambiguously an interaction responsi- ble for the formation of adducts described as early as 1814 but which had been overlooked for decades. It developed into a routinely used tool to direct self- assembly phenomena only after its effectiveness in crystal engineering was demonstrated in the mid-1990s [12]. The halogen bonding practice and concept has developed through a rather patchy course. As a consequence, it seems particularly timely to open this book with a brief history of the interaction, as a perspective of the topic may help the reader to understand better how the present situation has been reached. In the first chapter P. Metrangolo and G. Resnati examine how the halogen bonding concept emerged and became established in, and accepted by, a broad chemical community. The second chapter by P. Politzer et al. focuses on a physical interpretation of halogen bonding from a theoretical point of view. Studies on halogen-bonded complexes in the gas phase are highlighted in the third chapter by A. C. Legon and N. R. Walker, while cryogenic solutions containing halogen-bonded complexes are examined in the fourth chapter by W. Herrebout. C. B. Aakeroy€ and C. L. Spartz discuss the use of halogen bonding in supramolecular synthesis in the fifth chapter, and the study of such solid-state halogen-bonded complexes is described in the sixth chapter by D. L. Bryce and J. Viger-Gravel. A. V. Jentzsch and S. Matile discuss how to use halogen bonds in anion recognition and transport in the seventh chapter, while the last chapter by P. S. Ho closes the first volume of this book with a survey of biomolecular halogen bonds. This first volume of the book “Halogen Bonding: Impact on Materials Chemistry and Life Sciences” opens with a historical perspective and a basic understanding of the halogen bond and closes showing the impact that this interaction is having in various fields such as crystal engineering, supramolecular synthesis, and medicinal chemistry. Many other fields benefit from the use of halogen bonding and will be treated in the second volume of the book. Milan, Italy Pierangelo Metrangolo Giuseppe Resnati References 1. Hantzsch A (1915) Die Chromoisomerie der p-dioxy-terephthalsa¨ure derivate als phenol- enol-isomerie. Chem Ber 48:797–816 2. Nakamoto K, Margoshes M, Rundle RE (1955) Stretching frequencies as a function of distances in hydrogen bonds. J Am Chem Soc 77:6480–6486 3. Schleyer PR, West R (1959) Comparison of covalently bonded electro-negative atoms as proton acceptor groups in hydrogen bonding. J Am Chem Soc 81:3164–3165 Preface vii 4. Metrangolo P, Resnati G (2013) Metal-bound halogen atoms in crystal engineering. Chem Commun 49:1783À1785 5. Metrangolo P, Resnati G (eds) (2008) Halogen bonding: fundamentals and applications. Structure and bonding series, vol. 126. Springer-Verlag, Berlin Heidelberg 6. Murray JS, Lane P, Politzer P (2009) Expansion of the σ-hole concept. J Mol Model 15:723–729 7. Politzer P, Murray JS, Clark T (2013) Halogen bonding and other σ-hole interactions: a perspective. Phys Chem Chem Phys 15:11178–11189 8.
Load more

Recommended publications
  • Type II Halogen...Halogen Contacts Are Halogen Bonds
    scientific commentaries Type II halogenÁÁÁhalogen contacts are halogen IUCrJ bonds ISSN 2052-2525 CHEMISTRYjCRYSTENG Pierangelo Metrangolo* and Giuseppe Resnati Laboratory of Nanostructured Fluorinated Materials of the Department of Chemistry, Materials and Chemical Engineering "Giulio Natta", Politecnico di Milano, Via L. Mancinelli 7, Milano, 20131, Italy Halogenated phenols (HPs) are naturally present in the marine environment (Gribble, 2010). They are also important man-made compounds owing to their chemical inertness and applications in many industrial processes. For instance, chlorinated phenols, e.g. 2,4,6-trichlorophenol and its isomers, have been routinely used as pesticides, bactericides Keywords: halogen bonds; halogenated phenols and fungicides, and a number of tribromophenols are commercially produced as flame retardants and wood preservatives. The carbon–halogen bond can be quite stable in the environment and HPs are recalcitrant molecules, widespread organic pollutants found in air, water, soil and sedi- ments (Shao et al., 2011). The HPs mentioned above have, in fact, been detected and quantified in blood from birds, fish and mammals, including humans. The retention of HPs by living organisms is related to their structural resemblance to the thyroid hormones 3,30,5,50-tetraiodo-l-thyroxin (thyroxine, T4) and 3,30,5-triiodo-l-thyronine (T3). In fact, para-andmeta-halophenols bind to some proteins such as transthyretin (TTR), thyroxin-binding globulin (TGB) and albumin (ALB), and the receptor affinity of o,o’-dihalophenols is remarkably high (Kitamura et al., 2008). To understand the recognition features of HPs at molecular level is thus of paramount importance as it may help to rationalize the adverse biological effects of HPs to which humans are commonly exposed.
    [Show full text]
  • Halogen Bonding Based Recognition Processes: a World Parallel To
    Acc. Chem. Res. 2005, 38, 386-395 to acquaint the nonexperts. This overview will show how Halogen Bonding Based XB is a strong, specific, and directional interaction that Recognition Processes: A World gives rise to well-defined supramolecular synthons. Then ² we will focus on interactions involving halocarbons and Parallel to Hydrogen Bonding on the supramolecular architectures that they produce. Some heuristic principles will spring from this, enabling ,³ PIERANGELO METRANGOLO,* us to develop an XB based crystal engineering, which may ³ § HANNES NEUKIRCH, TULLIO PILATI, AND complement the possibilities offered by HB. Applications ,³ GIUSEPPE RESNATI* and prospects will conclude the paper. Department of Chemistry, Materials, and Chemical The first unequivocal report on the ability of halogen Engineering ªGiulio Nattaº, 7 via Mancinelli, I-20131 Milan, and Campus of Como, 7 via Castelnuovo, I-22100 Como, atoms to form well-defined adducts with electron donor Polytechnic of Milan, Italy, and C.N.R.-Institute of Molecular species dates back to 1863 when Guthrie described the 3 Sciences, 9 via Golgi, I-20133 Milan, Italy formation of the NH3‚‚‚I2 complex. In 1896, Remsen and Received October 28, 2004 Norris proved the general tendency of amines to form adducts with bromine and chlorine.4 Sixty years later, the crystallographic studies of Hassel were a landmark in the ABSTRACT Halogen bonding is the noncovalent interaction between halogen understanding of the XB characteristics. In his Nobel atoms (Lewis acids) and neutral or anionic Lewis bases. The main lecture, Hassel stressed the similarities between interac- features of the interaction are given, and the close similarity with tions where halogen and hydrogen atoms work as electron the hydrogen bonding will become apparent.
    [Show full text]
  • The Halogen Bond in the Design of Functional Supramolecular Materials
    The Halogen Bond in the Design of Functional Supramolecular Materials: Recent Advances † ‡ ARRI PRIIMAGI,*, GABRIELLA CAVALLO, ‡ ‡ PIERANGELO METRANGOLO,*, ,§ AND GIUSEPPE RESNATI*, † Department of Applied Physics, Aalto University, P.O. Box 13500, FI-00076 ‡ Aalto, Finland, NFMLab-DCMIC “Giulio Natta”, Politecnico di Milano, Via L. Mancinelli 7, IT-20131 Milano, Italy, and §VTT-Technical Research Centre of Finland, Tietotie 2, Espoo, FI-02044 VTT, Finland RECEIVED ON APRIL 9, 2013 CONSPECTUS alogen bonding is an emerging noncovalent interaction for constructing supramolecular assemblies. Though similar to the H more familiar hydrogen bonding, four primary differences between these two interactions make halogen bonding a unique tool for molecular recognition and the design of functional materials. First, halogen bonds tend to be much more directional than (single) hydrogen bonds. Second, the interaction strength scales with the polarizability of the bond-donor atom, a feature that researchers can tune through single-atom mutation. In addition, halogen bonds are hydrophobic whereas hydrogen bonds are hydrophilic. Lastly, the size of the bond-donor atom (halogen) is significantly larger than hydrogen. As a result, halogen bonding provides supramolecular chemists with design tools that cannot be easily met with other types of noncovalent interactions and opens up unprecedented possibilities in the design of smart functional materials. This Account highlights the recent advances in the design of halogen-bond-based functional materials. Each of the unique features of halogen bonding, directionality, tunable interaction strength, hydrophobicity, and large donor atom size, makes a difference. Taking advantage of the hydrophobicity, researchers have designed small-size ion transporters. The large halogen atom size provided a platform for constructing all-organic light-emitting crystals that efficiently generate triplet electrons and have a high phosphorescence quantum yield.
    [Show full text]
  • Year 2017 Delegate/Author Name Mario Malinconico
    Name of the Union Activities’ Report - Year 2017 Delegate/Author Name Mario Malinconico 1. Introduction During the course of 2017, Dr. Mario Malinconico performed the following activity. The members of the Italian National Committee for IUPAC participated in the activities from time to timeMain activities carried on by (Union name) during 2017 relevant for Italy and for CNR 2. Main activities carried on by (Union name) during 2017 relevant for Italy and for CNR - Project "Categorizing Chalcogen, Pnictogen, and Tetrel Bonds, and Other Interactions Involving Groups 14-16 Elements" (Project No .: 2016-001-2-300, Division 300, Chategorizing Chalcogen): The inaugural event of the project was organized in Milan (6 February 2017) and the poster for the announcement of the event is attached. All Task Group Members attended the event except Steve Scheiner (USA). The scientific session was open to the scientific community and the participants came from Europe, America and Asia. The report of the event was published as Editorial on Crystal Growth & Design (2017, 17, 1439; see CGD 2017, 17, 1439) (Journal of the American Chemical Society, IF 2016: 4.055) and has already received 4 citations. - on October 10th a meeting was held with the IUPAC past president Leiv Sydnes at the DSCTM in Rome. The meeting addressed the discussion on the follow-up of the CHEMRAWN Conference in Rome in 2016 and on a possible involvement of the CNR in the publishing activity of a book on the management of solid urban waste. The dott. Maurizio Peruzzini was present at the Meeting. - On October 21, during a skype conference, it was decided to set up an IUPAC group for the Centenary, which includes dr.
    [Show full text]
  • Pierangelo Metrangolo Giuseppe Resnati Editors Impact on Materials
    Topics in Current Chemistry 358 Pierangelo Metrangolo Giuseppe Resnati Editors Halogen Bonding I Impact on Materials Chemistry and Life Sciences 358 Topics in Current Chemistry Editorial Board: H. Bayley, Oxford, UK K.N. Houk, Los Angeles, CA, USA G. Hughes, CA, USA C.A. Hunter, Sheffield, UK K. Ishihara, Chikusa, Japan M.J. Krische, Austin, TX, USA J.-M. Lehn, Strasbourg Cedex, France R. Luque, Cordoba, Spain M. Olivucci, Siena, Italy J.S. Siegel, Nankai District, China J. Thiem, Hamburg, Germany M. Venturi, Bologna, Italy C.-H. Wong, Taipei, Taiwan H.N.C. Wong, Shatin, Hong Kong [email protected] Aims and Scope The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage includes all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether at the university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented. A description of the laboratory procedures involved is often useful to the reader. The coverage should not be exhaustive in data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented.
    [Show full text]
  • Both the Experimental and Theoretical Work of This Paper Seem to Be Done
    International Union of Crystallography (IUCr) Activities’ Report - Year 2016 Delegate: Carlo Mealli (CNR-ICCOM) 1. Introduction The IUCr has as target the promotion of the international cooperation in crystallography. The task is not straightforward, because crystallography is highly multi-disciplanary and operates in remote areas of science. The common goal is determining the relations between structure and properties in ordered materials, which span from proteins to drugs, technological species to minerals, including those of extraterrestrial origin. Since 1946, the IUCr promotes and coordinates researches of this type within the international scientific communities to favor a shared culture, the standardization of the methods, innovative collaborations even between very distal subjects, the construction and usage of large facilities, publications in journal of common crystallographic interest, the development of the crystallographic knowhow including less favored countries, the organization of schools and scientific events. In 2014, the International Year of Crystallography (IYCr2014), promoted by the ONU and carried out in strict collaboration with the UNESCO, has been a powerful vehicle for the educational activities of the crystallographic culture also in developing countries with the opening of new laboratories after proper training of the personnel. The thrust forward is continuing to be fruitful. Italy, in particular, has strategically contributed in the mentioned directions, because it participates since many years in the IUCr activities, often including management and governance. 2. Main activities carried on by (Union name) during 2016 relevant for Italy and for CNR The IUCr holds its Congress and General Assembly every three years (the next XXIV IUCr Congress will be in August 2017 in Hyderabad, India).
    [Show full text]
  • 126 Structure and Bonding
    126 Structure and Bonding Series Editor: D. M. P.Mingos Editorial Board: P. Day · X. Duan · T. J. Meyer G.Parkin·H.W.Roesky·J.-P.Sauvage Structure and Bonding Series Editor: D. M. P.Mingos Recently Published and Forthcoming Volumes Halogen Bonding Magnetic Functions Beyond Fundamentals and Applications the Spin-Hamiltonian Volume Editors: Metrangolo, P., Resnati, G. Volume Editor: Mingos, D. M. P. Vol. 126, 2008 Vol. 117, 2005 High Energy Density Materials Intermolecular Forces and Clusters II Volume Editor: Klapötke, T. H. VolumeEditor:Wales,D.J. Vol. 125, 2007 Vol. 116, 2005 Ferro- and Antiferroelectricity Intermolecular Forces and Clusters I Volume Editors: Dalal, N. S., VolumeEditor:Wales,D.J. Bussmann-Holder, A. Vol. 115, 2005 Vol. 124, 2007 Superconductivity in Complex Systems Photofunctional Transition Metal Complexes Volume Editors: Müller, K. A., Volume Editor: V.W.W. Yam Bussmann-Holder, A. Vol. 123, 2007 Vol. 114, 2005 Single-Molecule Magnets Principles and Applications and Related Phenomena of Density Functional Theory Volume Editor: Winpenny, R. in Inorganic Chemistry II Vol. 122, 2006 Volume Editors: Kaltsoyannis, N., McGrady, J. E. Non-Covalent Multi-Porphyrin Assemblies Vol. 113, 2004 Synthesis and Properties Volume Editor: Alessio, E. Principles and Applications Vol. 121, 2006 of Density Functional Theory in Inorganic Chemistry I Recent Developments in Mercury Sience Volume Editors: Volume Editor: Atwood, David A. Kaltsoyannis, N., McGrady, J. E. Vol. 120, 2006 Vol. 112, 2004 Layered Double Hydroxides Supramolecular Assembly Volume Editors: Duan, X., Evans, D. G. via Hydrogen Bonds II Vol. 119, 2005 Volume Editor: Mingos, D. M. P. Vol. 111, 2004 Semiconductor Nanocrystals and Silicate Nanoparticles Applications of Evolutionary Computation Volume Editors: Peng, X., Mingos, D.
    [Show full text]
  • News2007fall.Pdf ‏119 KB
    Fall Newsletter & Official Ballot for Election of Executive Committee Positions October 2007 Message from the Chair Sizzling greetings from Los Angeles! I trust that you all had a fruitful and relaxing summer, despite the stormy and wet summer some of you have experienced in the Midwest and South. I know that some of you attended the 15th European Symposium in Fluorine Chemistry in Prague, which I heard was a grand success. On behalf of all of us in the Division, I would like to extend my warm congratulations to Professor Dennis Curran, University of Pittsburgh, the winner of the 2008 ACS Award for Creative Work in Fluorine Chemistry. The 2008 award is sponsored by SynQuest, which will be alternating with sponsorship by Honeywell over the next several years. Professor Curran will give his award address during the Award Symposium (co-sponsored by the Organic Division) in the upcoming 235th ACS National Meeting at New Orleans, LA, April 6 -10, 2008. Two-back-to-back Symposia titled “Nanostructured Fluoro- carbons: Smart Tectons for Self Assembly” and “Novel Bonding and Structural Modalities in Inorganic Fluorine Chemistry” were organized at the 234th ACS Meeting in Boston this August. The latter honored Professor Neil Bartlett on the occasion of his 75th Birthday. Happy Birthday Neil! The division is grateful to all the organizers (G. Resnati, P. Metrangolo, B. Žemva, H. P. A. Mercier, A. Tressaud and G. B. Schrobilgen), participants, attendees and the sponsors. Slava Petrov promises exciting events at New Orleans as well as Philadelphia next year (see the program chair’s report).
    [Show full text]
  • For Peer Review Only
    IUPAC Definition of the chalcogen bond ForJournal: PeerPure and Applied Review Chemistry Only Manuscript ID PAC-REC-18-07-13.R1 Manuscript Type: Recommendation Date Submitted by the Author: 03-Oct-2018 Complete List of Authors: Aakeröy, Christer; Kansas State University, Department of Chemistry Bryce, David Desiraju, Gautam; Indian Institute of Science, Solid State & Structural Chemistry Unit Frontera, Antonio; Universitat de les Illes Balears Departament de Quimica Legon, Anthony; university of bristol, School of Chemistry, Nicotra, Francesco; University of Milano-Bicocca, Department of Bioscience and Biotechnology; Rissanen, Kari; University of Jyväskylä Scheiner, Steve; Utah State University, Department of Chemistry and Biochemistry Terraneo, Giancarlo; Politecnico di Milano Dipartimento di Chimica Materiali e Ingegneria Chimica Giulio Natta Metrangolo, Pierangelo Resnati, Giuseppe; Politecnico di Milano Dipartimento di Chimica Materiali e Ingegneria Chimica Giulio Natta, Chemistry, Materials, Chemical Engineering "Giulio NAtta" nomenclature, supramolecular chemistry, molecular recognition, sulfur, Keywords: selenium Author-Supplied Keywords: P.O. 13757, Research Triangle Park, NC (919) 485-8700 IUPAC Page 10 of 13 1 1 2 3 Christer B. Aakeroy, David L. Bryce, Gautam R. Desiraju, Antonio Frontera, Anthony C. Legon, 4 Francesco Nicotra, Kari Rissanen, Steve Scheiner, Giancarlo Terraneo, Pierangelo Metrangolo 5 and Giuseppe Resnati* 6 7 Definition of the chalcogen bond 8 9 (IUPAC Recommendations 201?) 10 11 http://doi. 12 Received 13 14 Abstract: This recommendation proposes a definition for the term “chalcogen bond”; it is recom- 15 mended the term is used to designate the specific subset of inter- and intramolecular interactions 16 formed by chalcogenFor atoms Peerwherein the Group Review 16 element is the electrophilicOnly site.
    [Show full text]
  • Download Article (PDF)
    Project Place Basic Terminology of Crystal Implementation of InChI for chemi- Engineering cally modified large biomolecules Crystal engineering is the design and synthesis of The IUPAC International Chemical Identifier (InChI) functional crystalline structures, based on a bottom-up algorithm is now well established as a powerful means approach from smaller building blocks. Crystal engi- of denoting the basic chemical structure of a well- neering is a fascinating new subject that has expanded defined, small (<1024 atoms) organic molecule as a rapidly in the last 20 years. It is also attracting the unique machine-readable character string, suitable interest of the chemical and pharmaceutical industry. for electronic data storage, searching, and exchange. It overlaps with supramolecular chemistry, X-ray crys- The IUPAC Division VIII InChI Subcommittee is now tallography, materials science, and solid-state chemis- starting work on a complete overhaul of the InChI try, but is a distinct discipline in itself. The subject goes algorithm, i.e. the beginning of plans for a second ver- beyond the traditional divisions of organic, inorganic, sion of InChI. A crucial part of this work is intended and physical chemistry; this makes for an eclectic to address the known shortcomings of the current blend of ideas, techniques, and strategies. InChI algorithm pertaining to the handling (or lack The diversity in focus and scientific basis of the thereof) of various types of biological substances. researchers in the field has led to numerous terminol- Chemically modified sequences are becoming very ogy practices that are not consistent among research important in life science research both as tools and as groups, causing confusion and unnecessary conflicts.
    [Show full text]
  • Supramolecular Interactions in the Solid State
    feature articles IUCrJ Supramolecular interactions in the solid state ISSN 2052-2525 Giuseppe Resnati,a Elena Boldyreva,b,c Petra Bombiczd* and Masaki Kawanoe CHEMISTRYjCRYSTENG aDepartment of Chemistry, Materials, Chemical Engineering, Politecnico di Milano, 7, via Mancinelli, Milan, Lombardy I- 20131, Italy, bInstitute of Solid State Chemistry, Russian Academy of Sciences, ul. Kutateladze 18, Novosibirsk 128, Russian Federation, cNovosibirsk State University, ul. Pirogova 2, Novosibirsk 630090, Russian Federation, dResearch Group of Chemical Crystallography, Institute of Organic Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Magyar Tudo´sok koru´tja 2, POB 286, Budapest H-1117, Hungary, and eDivision of Advanced Received 23 June 2015 ¨ Materials Science, Pohang University of Science and Technonlogy, 77 Cheongam-Ro Nam-Gu, Pohang 790-784, South Accepted 3 August 2015 Korea. *Correspondence e-mail: [email protected] Edited by A. D. Bond, University of Copen- In the last few decades, supramolecular chemistry has been at the forefront of hagen, Denmark chemical research, with the aim of understanding chemistry beyond the covalent bond. Since the long-range periodicity in crystals is a product of the directionally Keywords: intermolecular interactions; crystal specific short-range intermolecular interactions that are responsible for engineering; self-assembly; halogen bonding; molecular assembly, analysis of crystalline solids provides a primary means to polymorphism; kinetic assembly; coordination
    [Show full text]
  • RSC Macrocyclic & Supramolecular Chemistry Meeting 2015 Durham
    RSC Macrocyclic & Supramolecular Chemistry Meeting 2015 Durham University 21st and 22nd December 2015 MASC 2015 has been made possible by the generous support of our sponsors MASC 2015 Durham University 21st and 22nd December 2015 Welcome Welcome to the Royal Society of Chemistry Macrocyclic and Supramolecular Chemistry Group meeting 2015! We’re delighted to welcome you to Historic Durham and hope you enjoy the fabled North-eastern weather here in December. MASC2015 is taking place will take place on the Science Site of Durham University 21st and 22nd December 2015. The conference dinner will take place on the evening of Monday 21st December at the Historic Durham Castle the founding college of Durham University. Durham City is home to one of the most recognisable landmarks in the UK, the majestic Durham Cathedral. Together with adjacent Durham Castle, this UNESCO World Heritage Site forms one of the most stunning city panoramas in Europe. – See more at http://www.thisisdurham.com. We could not run this meeting without the hugely generous support of our sponsors listed on the inside front cover. THANK YOU ALL! They have made the conference possible, so please do visit them in our exhibition adjacent to the lecture theatre and show your gratitude for keeping costs low at this fantastic event. We are also greatly appreciative of the staff and students at Durham University who have helped make the event happen. We hope you enjoy MASC 2015. Meeting Information Registration is in the reception area of the Calman Learning Centre (see map on back cover). Lectures will be on the ground floor in the Arnold Wolfendale Theatre (CLC013).
    [Show full text]