Volume 76, No. 4, October 2012
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May-June 2013 OUTLOOK on Volume 35 No
CHEMISTRY International The News Magazine of IUPAC May-June 2013 OUTLOOK ON Volume 35 No. 3 LATIN AMERICA Neglected Tropical Diseases INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY Green Chemistry in Teaching From the Editor CHEMISTRY International ay is a month of many celebrations. As we have mentioned several Mtimes before in CI, 20 May is World Metrology Day, which com- The News Magazine of the International Union of Pure and memorates the signing by representatives of 17 nations of The Metre Applied Chemistry (IUPAC) Convention on that day in 1875. This year, the theme is “Measurements in Daily Life”—see more at www.worldmetrologyday.org. www.iupac.org/publications/ci While living in the states, but having grown up in Belgium, I have found that measurements in my daily life can be quite bewildering. A simple Managing Editor: Fabienne Meyers length mentioned in inches, a travel distance Production Editor: Chris Brouwer referred to in miles, a quantity in a cook book Design: pubsimple specified in spoons or cups, or my own weight blurred in pounds on my bathroom scale make All correspondence to be addressed to: no sense to me. And, it is beyond me that this Fabienne Meyers “New World” is stuck in a nonmetric system. If IUPAC, c/o Department of Chemistry on 20 May I can convince just one friend that Boston University SI is the way to go, even for daily usage, it is Metcalf Center for Science and Engineering worth celebrating! 590 Commonwealth Ave. There are many more international and world days in May, several that Boston, MA 02215, USA are even recognized by the UN or UNESCO. -
Synthesis and Properties of Corannulene Derivatives: Journey to Materials Chemistry and Chemical Biology
Zurich Open Repository and Archive University of Zurich Main Library Strickhofstrasse 39 CH-8057 Zurich www.zora.uzh.ch Year: 2008 Synthesis and properties of corannulene derivatives: journey to materials chemistry and chemical biology Hayama, Tomoharu Abstract: Corannulene, also called as [5]-circulene, is a C20H10 fragment of buckminsterfullerene, C60. The most interesting property of corannulene is probably its bowl structure and bowl-to-bowl inversion. The unique curvature has many possiblities for applications in different fields. Today, large-scale synthesis of corannulene is possible and thus, the time has come to exploit its physical properties. This disserta- tion is divided into four areas: 1) efficient synthesis of sym-pentaarylsubstituedcorannulene derivatives, 2) solvent effect on the bowl inversion, 3) development of the method for solution-phase nanotube syn- thesis, and 4) designing a corannulene-based synthetic receptor. sym-pentaarylsubstituedcorannulenes are quite attractive compounds because of their five-fold symmetry and curvature. The efficient synthesis has been accomplished from sym-pentachlorocorannulene with the coupling reaction using N-heterocyclic carbene ligands in a moderately good yield in spite of its five low-reactive chlorides. The inversion energies of some sym-pentaarylsubstituedcorannulenes have been investigated in different types of sol- vent. The variable temperature 1H-NMR spectra were measured, and line shape analysis or coalescence approximation were used to evaluate the rate parameters. This experiment suggested endo-group inter- actions of those compounds and shows influences of solvent polarity or volume on the inversion energies. In addition, the bowl depths will also be compared and discussed using the crystallographic structural data. The high-energy per-ethynylated polynuclear compound decapentynyl-corannulene has been pre- pared via aryl-alkyne coupling chemistry of decachlorocorannulene. -
Polycyclic Aromatic Hydrocarbon Structure Index
NIST Special Publication 922 Polycyclic Aromatic Hydrocarbon Structure Index Lane C. Sander and Stephen A. Wise Chemical Science and Technology Laboratory National Institute of Standards and Technology Gaithersburg, MD 20899-0001 December 1997 revised August 2020 U.S. Department of Commerce William M. Daley, Secretary Technology Administration Gary R. Bachula, Acting Under Secretary for Technology National Institute of Standards and Technology Raymond G. Kammer, Director Polycyclic Aromatic Hydrocarbon Structure Index Lane C. Sander and Stephen A. Wise Chemical Science and Technology Laboratory National Institute of Standards and Technology Gaithersburg, MD 20899 This tabulation is presented as an aid in the identification of the chemical structures of polycyclic aromatic hydrocarbons (PAHs). The Structure Index consists of two parts: (1) a cross index of named PAHs listed in alphabetical order, and (2) chemical structures including ring numbering, name(s), Chemical Abstract Service (CAS) Registry numbers, chemical formulas, molecular weights, and length-to-breadth ratios (L/B) and shape descriptors of PAHs listed in order of increasing molecular weight. Where possible, synonyms (including those employing alternate and/or obsolete naming conventions) have been included. Synonyms used in the Structure Index were compiled from a variety of sources including “Polynuclear Aromatic Hydrocarbons Nomenclature Guide,” by Loening, et al. [1], “Analytical Chemistry of Polycyclic Aromatic Compounds,” by Lee et al. [2], “Calculated Molecular Properties of Polycyclic Aromatic Hydrocarbons,” by Hites and Simonsick [3], “Handbook of Polycyclic Hydrocarbons,” by J. R. Dias [4], “The Ring Index,” by Patterson and Capell [5], “CAS 12th Collective Index,” [6] and “Aldrich Structure Index” [7]. In this publication the IUPAC preferred name is shown in large or bold type. -
Luis Federico Leloir, En El 50 Aniversario De La
LUIS FEDERICO LELOIR, EN EL 50 ANIVERSARIO DE LA CONCESIÓN DEL PREMIO NOBEL DE QUÍMICA LUIS FEDERICO LELOIR, ON THE 50TH ANNIVERSARY OF THE AWARDING OF THE NOBEL PRIZE IN CHEMISTRY Leiva-Cepas, Fernando1-4; López-López, Isabel5 1 Departamento de Ciencias Morfológicas y Sociosanitarias. Facultad de Medicina y Enfermería. Universidad de Córdoba. 2 Servicio de Anatomía Patológica. Hospital Universitario Reina Sofía de Córdoba. España. 3 Grupo de Investigación en Regeneración Muscular CTS-985. 4 GC-12. GICEAP. Instituto Maimónides de Investigación Biomédica Traslacional de Córdoba. 5 UGC de Nefrología. Hospital Universitario Reina Sofía de Córdoba. España. Recibido: 15/09/2020 | Revisado: 01/11/2020 | Aceptado: 29/11/2020 DOI: 10.15568/am.2020.811.hca01 Actual Med. 2020; 105(811): 248-250 Historia, Conmemoraciones y Aniversarios El camino de la investigación científica es polimorfo. nandola para entregarse de manera integral a la inves- Esto quiere decir que aunque se inicie una trayecto- tigación científica (2). ria de una manera, los designios de la misma pueden cambiar el fin último de la ciencia practicada. El ca- Tras conocer los estudios de fisiología del Profesor mino más corto entre dos puntos, no siempre es la Houssay (Premio Nobel de Medicina y Fisiología línea recta. Leloir es la referencia del discípulo que en 1947), se incorpora a su instituto para realizar iguala o aventaja al maestro conservando la lealtad, el su tesis doctoral, propuesta de su decisivo maestro: respeto y la deferencia. “Suprarrenales y metabolismo de los hidratos de car- bono”, en el metabolismo glucídico en las glándulas Luis Federico Leloir nace en París el 6 de septiembre suprarrenales (Premio de la Facultad de Medicina de 1906, y es un producto genuinamente argentino, una de Buenos Aires en 1934). -
Los Premios Nobel De Química
Los premios Nobel de Química MATERIAL RECOPILADO POR: DULCE MARÍA DE ANDRÉS CABRERIZO Los premios Nobel de Química El campo de la Química que más premios ha recibido es el de la Quí- mica Orgánica. Frederick Sanger es el único laurea- do que ganó el premio en dos oca- siones, en 1958 y 1980. Otros dos también ganaron premios Nobel en otros campos: Marie Curie (física en El Premio Nobel de Química es entregado anual- 1903, química en 1911) y Linus Carl mente por la Academia Sueca a científicos que so- bresalen por sus contribuciones en el campo de la Pauling (química en 1954, paz en Física. 1962). Seis mujeres han ganado el Es uno de los cinco premios Nobel establecidos en premio: Marie Curie, Irène Joliot- el testamento de Alfred Nobel, en 1895, y que son dados a todos aquellos individuos que realizan Curie (1935), Dorothy Crowfoot Ho- contribuciones notables en la Química, la Física, la dgkin (1964), Ada Yonath (2009) y Literatura, la Paz y la Fisiología o Medicina. Emmanuelle Charpentier y Jennifer Según el testamento de Nobel, este reconocimien- to es administrado directamente por la Fundación Doudna (2020) Nobel y concedido por un comité conformado por Ha habido ocho años en los que no cinco miembros que son elegidos por la Real Aca- demia Sueca de las Ciencias. se entregó el premio Nobel de Quí- El primer Premio Nobel de Química fue otorgado mica, en algunas ocasiones por de- en 1901 al holandés Jacobus Henricus van't Hoff. clararse desierto y en otras por la Cada destinatario recibe una medalla, un diploma y situación de guerra mundial y el exi- un premio económico que ha variado a lo largo de los años. -
Monoradicals and Diradicals of Dibenzofluoreno[3,2-B]Fluorene Isomers: Mechanisms of Electronic Delocalization
pubs.acs.org/JACS Article Monoradicals and Diradicals of Dibenzofluoreno[3,2‑b]fluorene Isomers: Mechanisms of Electronic Delocalization Hideki Hayashi,○ Joshua E. Barker,○ Abel Cardenaś Valdivia,○ Ryohei Kishi, Samantha N. MacMillan, Carlos J. Gomez-Garć ía, Hidenori Miyauchi, Yosuke Nakamura, Masayoshi Nakano,* Shin-ichiro Kato,* Michael M. Haley,* and Juan Casado* Cite This: J. Am. Chem. Soc. 2020, 142, 20444−20455 Read Online ACCESS Metrics & More Article Recommendations *sı Supporting Information ABSTRACT: The preparation of a series of dibenzo- and tetrabenzo-fused fluoreno[3,2-b]fluorenes is disclosed, and the diradicaloid properties of these molecules are compared with those of a similar, previously reported series of anthracene-based diradicaloids. Insights on the diradical mode of delocalization tuning by constitutional isomerism of the external naphthalenes has been explored by means of the physical approach (dissection of the electronic properties in terms of electronic repulsion and transfer integral) of diradicals. This study has also been extended to the redox species of the two series of compounds and found that the radical cations have the same stabilization mode by delocalization that the neutral diradicals while the radical anions, contrarily, are stabilized by aromatization of the central core. The synthesis of the fluorenofluorene series and their characterization by electronic absorption and vibrational Raman spectroscopies, X-ray diffraction, SQUID measurements, electrochemistry, in situ UV−vis−NIR absorption spectroelectro- chemistry, and theoretical calculations are presented. This work attempts to unify the properties of different series of diradicaloids in a common argument as well as the properties of the carbocations and carbanions derived from them. -
Synthesis of an Unsymmetrically Pentafunctionalized Corannulene Derivative (Part I) Synthesis of Platinum and Ethynyl-Platinum Corannulenes (Part II)
Zurich Open Repository and Archive University of Zurich Main Library Strickhofstrasse 39 CH-8057 Zurich www.zora.uzh.ch Year: 2012 Synthesis of an Unsymmetrically Pentafunctionalized Corannulene Derivative (Part I) Synthesis of Platinum and Ethynyl-Platinum Corannulenes (Part II) Maag, Roman M Posted at the Zurich Open Repository and Archive, University of Zurich ZORA URL: https://doi.org/10.5167/uzh-164179 Dissertation Published Version Originally published at: Maag, Roman M. Synthesis of an Unsymmetrically Pentafunctionalized Corannulene Derivative (Part I) Synthesis of Platinum and Ethynyl-Platinum Corannulenes (Part II). 2012, University of Zurich, Faculty of Science. Part I: Synthesis of an Unsymmetrically Pentafunctionalized Corannulene Derivative and Part II: Synthesis of Platinum and Ethynyl-Platinum Corannulenes Dissertation zur Erlangung der naturwissenschaftlichen Doktorwurde¨ Dr. sc. nat. vorgelegt der Mathematisch-naturwissenschaftlichen Fakult¨at der Universit¨at Zurich¨ von Roman M. Maag von Winkel ZH Promotionskommitee: Prof. Dr. Jay S. Siegel (Vorsitz) Prof. Dr. Kim K. Baldridge Prof. Dr. Cristina Nevado Prof. Dr. Roger Alberto Zurich,¨ 2012 Abstract of the Dissertation Part I: Synthesis of an Unsymmetrically Pentafunctionalized Corannulene Derivative and Part II: Synthesis of Platinum and Ethynyl-Platinum Corannulenes by Roman M. Maag University of Zurich, 2012 Prof. Dr. Jay S. Siegel, Chair Corannulene (C20H10) is a polyaromatic hydrocarbon that can be considered as the smallest fragment of Buckminsterfullerene exhibiting a curved surface. Among the in- teresting properties of corannulene are rapid bowl inversion and esthetically appealing fivefold symmetry (C5v), which is rare in chemistry. Whereas the first synthesis in 1968 only afforded milligram quantities, several improvements in the synthetic strategy finally culminated in the development of an efficient process which today furnishes corannulene in kilogram quantities. -
A DFT Study on Sumanene, Corannulene and Nanosheet As the Anodes in Li−Ion Batteries
Iran. J. Chem. Chem. Eng. Research Article Vol. 39, No. 6, 2020 Archive of SID A DFT study on Sumanene, Corannulene and Nanosheet as the Anodes in Li−Ion Batteries Gharibzadeh, Fatemeh Department of Chemistry, Tabriz Branch, Islamic Azad University, Tabriz, I.R. IRAN Vessally, Esmail Department of Chemistry, Payame Noor University, Tehran, I.R. IRAN Edjlali, Ladan*+; Es’haghi, Moosa Department of Chemistry, Tabriz Branch, Islamic Azad University, Tabriz, I.R. IRAN Mohammadi, Robab Department of Chemistry, Payame Noor University, Tehran, I.R. IRAN ABSTRACT: Herein, we studied interactions between the Li neutral atom and Li+ ion and three types of nanoparticles including sumanene (Sum), corannulene (Cor), and nanosheet to obtain the cell voltage (V) for Li−ion batteries (LIBs). Total energies, geometry optimizations, Frontier Molecular Orbital (FMO), and Density of States (DOS) analyses have been obtained using M06−2X level of theory and 6−31+G (d,p) basis set. DFT calculations clarified that the changes of energy + adsorption between Li ion and nanoparticles, Ead, are in the order: Sheet > Sum−I > Cor > Cor−I > Sum. However, the Vcell for Sum is the highest. The changes in Vcell of Li−ion batteries (LIBs) are in the order: Sum > Sheet > Sum−i > Cor > Cor−i. This study theoretically indicates the possibility of Li as the anode in the battery field. KEYWORDS: DFT study; Sumanene; Corannulene; Nanosheet; Li−ion Batteries. INTRODUCTION Rechargeable batteries are very important to batteries due to its low density, high specific capacity, generation the electricity. The dry batteries, such as Zn−C, and the lowest electrochemical potential of the periodic table [1]. -
&Quien Es El Doctor Luis Federico Leloir?
LUIS FEDERICO LELOIR, En 1956 fue necesario crearle la espectacularidad y ofrece, por el Su respuesta no se hizo esperar, categoria . de profesor extraordina contrario, la imagen del hombre mientras los dedos de sus manos "NACI ALLA POR EL 900", rio porque no había en su espe. humilde. Habíamos c:>ncertado la permanecían entrelazados, quietos. ES UNO DE LOS CIENTIFI cíalidad quien pudiera integrar entrevista por teléfono el jueves Su mirada fria se hundía en mí. un c.oncurso para juzgarlo. Y, sin por la noche. Y al día siguiente, -A ver. creo que nací allá COS MAS IMPORTANTES embargo, sigue siendo un hombre a las 15.30, lo encontramos en su por el 1900; un 6 de septiembre DEL MUNDO Y ES ARGEN retraído, asombrosamente modes ambiente, es decir, entre la~ vie· de 1906, debo tener, pues, unos to y con una paciencia a toda prue jas paredes del Instituto de lnves· 62 años. • TINO. SUS APORTES AL ba. Rehúye la publicidad y prefie· tigaciones B ioquímic~o;o. al 2400 de -¿Usted es argentino, d,octor? CAMPO DE LA BIOQUIMI re permanecer en el anonimato, la calle Obligado, . en el barrio de -Mis padres son argentinos, pe- - CA SON INNUMERABLES. aun cuando ha recibido gran canti· Belgrano. Al doctor Luis Federico ro yo he nacido en Francia; diga- r~ dad de premios en dinero, que los Leloir Lo enmarcan un verdadero mos por casualidad. pero luego SU PERSONALIDAD, SOR acepta pero que los dedica a la arsenal de máquinas, probetas, opté por ciudadanizarme. PRENDENTE. DESCONO ciencia. En su laboratorio usa guar tubos de ensayo, estanterías y mos - ¿Cuál es su especialidad? dapolvo de ordenanza color gris, tradores de trabajo. -
Enantioselective Synthesis of a Chiral Nitrogen-Doped Buckybowl
ARTICLE Received 9 Mar 2012 | Accepted 9 May 2012 | Published 12 Jun 2012 DOI: 10.1038/ncomms1896 Enantioselective synthesis of a chiral nitrogen- doped buckybowl Qitao Tan1, Shuhei Higashibayashi1,2, Sangita Karanjit2 & Hidehiro Sakurai1,2 Bowl-shaped aromatic compounds, namely buckybowls constitute a family of curved polycyclic aromatic carbons along with fullerenes and carbon nanotubes. Doping of heteroatoms to the carbon frameworks of such aromatic compounds drastically modulates their physical and chemical properties. In contrast to nitrogen-doped azafullerenes or carbon nanotubes, synthesis of azabuckybowls, nitrogen-doped buckybowls, remains an unsolved challenging task. Here we report the first enantioselective synthesis of a chiral azabuckybowl, triazasumanene. X-ray crystallographic analysis confirmed that the doping of nitrogen induces a more curved and deeper bowl structure than in all-carbon buckybowls. As a result of the deeper bowl structure, the activation energy for the bowl inversion (thermal flipping of the bowl structure) reaches an extraordinarily high value (42.2 kcal per mol). As the bowl inversion corresponds to the racemization process for chiral buckybowls, this high bowl inversion energy leads to very stable chirality of triazasumanene. 1 Research Center for Molecular Scale Nanoscience, Institute for Molecular Science, Myodaiji, Okazaki 444-8787, Japan. 2 School of Physical Sciences, the Graduate University for Advanced Studies, Myodaiji, Okazaki 444-8787, Japan. Correspondence and requests for materials should be addressed to S.H. (email: [email protected]). NATURE COMMUNICATIONS | 3:891 | DOI: 10.1038/ncomms1896 | www.nature.com/naturecommunications © 2012 Macmillan Publishers Limited. All rights reserved. ARTICLE NatUre cOMMUNicatiONS | DOI: 10.1038/ncomms1896 olycyclic aromatic carbons with curved π-conjugated struc- R N tures, such as fullerenes and carbon nanotubes (CNTs), exhibit Pfascinating physicochemical properties especially in material science1–3. -
Historie Chemie 19
MASARYKOVA UNIVERZITA PEDAGOGICKÁ FAKULTA KATEDRA CHEMIE Vybrané kapitoly z historie chemie 19. – 20. století (Příloha bakalářské práce) Brno 2010 Vedoucí bakalářské práce: Vypracovala: doc. Mgr. Hana Cídlová, Dr. Barbora Kohoutková Obsah Předmluva .......................................................................................................... 3 Vybrané kapitoly z historie chemie 19. – 20. století ........................................... 4 Přehled laureátů Nobelovy ceny za chemii ....................................................... 32 Ţivotopisy laureátů Nobelovy ceny za chemii .................................................. 49 Seznam pouţité literatury: .............................................................................. 145 Předmluva Tato studijní pomůcka byla vytvořena jako součást bakalářské práce především pro potřebu studentů Pedagogické fakulty Masarykovy univerzity navazujícího magisterského programu N-ZS Učitelství pro základní školy, oboru CH2 Učitelství chemie pro základní školy v kombinaci s jiným oborem pro předmět Historie chemie. Tento studijní materiál bude studentům k dispozici v podobě www stránek. Autoři upozorňují, ţe tento studijní materiál bude dále upravován a jeho konečná podoba bude zveřejněna v rámci práce diplomové. Studijní pomůcka obsahuje následující části: 1. Vybrané kapitoly z historie chemie 19. – 20. století 2. Přehled laureátů Nobelovy ceny za chemii 3. Ţivotopisy laureátů Nobelovy ceny za chemii Vybrané kapitoly z historie chemie 19. – 20. století 1. ATOM Je zajímavé, že -
Annual Review 2018 from the DIRECTOR GENERAL
Published by Institute for Molecular Science National Institutes of Natural Sciences Myodaiji, Okazaki 444-8585, Japan Phone: +81-564-55-7418 (Secretary Room) Fax: +81-564-54-2254 (Secretary Room) URL: http://www.ims.ac.jp/en/ Editorial Committee 2018 Chairperson MASAOKA, Shigeyuki Vice-Chairperson TANAKA, Kiyohisa NGUYEN, Thanh Phuc ITO, Soichi EHARA, Masahiro FUJIMOTO, Masaki IZAWA, Seiichiro ANDO, Jun KONDO, Mio FURUIKE, Yoshihiko KOSUGI, Takahiro YOSHIZAWA, Daichi NAGASONO, Hisayo NAKAMURA, Rie Annual Review 2018 FROM THE DIRECTOR GENERAL Institute for Molecular Science (IMS) is one of the world’s core research facilities for molecular science and is also a center for inter-university joint research in Japan. It sets an extremely wide range of research goals, from understanding the behavior of individual molecules to that of collective molecular systems. These molecular systems have close relation to scientific understanding of biology, engineering and space sciences. Currently, IMS is engaged in six (four plus two) areas of research: Theoretical and computational molecular science, Photo-molecular science, Materials molecular science, and Life and coordination-complex molecular science. Research Center of Integrative Molecular Systems (CIMoS), the fifth research division of IMS, has started from April, 2013 to develop the highly functional molecular systems such as molecular rhythms, sensing and response, and even self-repair. Starting from April 2017, Center for Mesoscopic Sciences (CMS) is launched to develop innovative methodology of studying mesoscopic molecular systems, covering from theoretical methods to leading-edge measurement methods. In addition to these research divisions, IMS has three research facilities; UVSOR Synchrotron Facility, Instrument Center facilitated with various molecular detectors, and Equipment Development Center.