The Influence of Electronegativity on Linear and Triangular Three-Centre Bonds
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Bun)Mo(Pme3)(Η -C2H4) (6) Through Etmgbr Reduction of (Arn)( Bun)Mocl2(DME) in the Presence of Pme3
Synthesis, Catalysis and Stoichiometric Reactivity of Mo Imido Complexes Nicolas A. McLeod BSc. in Chemistry Chemistry Thesis submitted to the Faculty of Graduate Studies In the partial fulfillment of the requirements For the MSc. degree in chemistry Chemistry Department Faculty of Mathematics and Science Brock University St. Catharines, Ontario © Nicolas A. McLeod, 2014 Abstract The current thesis describes the syntheses, catalytic reactivity and mechanistic investigations of novel Mo(IV) and Mo(VI) imido systems. Attempts at preparing mixed bis(imido) Mo(IV) complexes of the type (RN)(R′N)Mo(PMe3)n (n = 2 or 3) derived from the t mono(imido) complexes (RN)Mo(PMe3)3(X)2 (R = Bu (1) or Ar (2); X = Cl2 or HCl, Ar=2,6- i Pr2C6H3) are also described. The addition of lithiated silylamides to 1 or 2 results in the 2 unexpected formation of the C-H activated cyclometallated complexes (RN)Mo(PMe3)2(η - t CH2PMe2)(X) (R = Ar, X = H (3); R = Bu, X = Cl (4)). Complexes 3 and 4 were used in the activation of R′E-H bonds (E = Si, B, C, O, P; R′ = alkyl or aryl), which typically give products of addition across the M-C bond of the type (RN)Mo(PMe3)3(ER′)(X) (4). In the case of 2,6- dimethylphenol, subsequent heating of 4 (R = Ar, R′ = 2,6-Me2C6H3, E = O) to 50 °C results in 2 C-H activation to give the cyclometallated complex (ArN)Mo(PMe3)3(κ -O,C-OPh(Me)CH2) (5). An alternative approach was developed in synthesizing the mixed imido complex t 2 t (ArN)( BuN)Mo(PMe3)(η -C2H4) (6) through EtMgBr reduction of (ArN)( BuN)MoCl2(DME) in the presence of PMe3. -
Preliminary JIRAM Results from Juno Polar Observations: 2. Analysis Of
PUBLICATIONS Geophysical Research Letters RESEARCH LETTER Preliminary JIRAM results from Juno polar observations: 10.1002/2017GL072905 + 2. Analysis of the Jupiter southern H3 emissions Special Section: and comparison with the north aurora Early Results: Juno at Jupiter A. Adriani1 , A. Mura1 , M. L. Moriconi2 , B. M. Dinelli2 , F. Fabiano2,3 , F. Altieri1 , G. Sindoni1 , S. J. Bolton4 , J. E. P. Connerney5 , S. K. Atreya6, F. Bagenal7 , Key Points: + 8 1 1 1 1 1 • H3 intensity, column density, and J.-C. M. C. Gérard , G. Filacchione , F. Tosi , A. Migliorini , D. Grassi , G. Piccioni , temperature maps of the Jupiter R. Noschese1, A. Cicchetti1 , G. R. Gladstone4, C. Hansen9 , W. S. Kurth10 , S. M. Levin11 , southern aurora are derived from B. H. Mauk12 , D. J. McComas13 , A. Olivieri14, D. Turrini1 , S. Stefani1 , and M. Amoroso14 Juno/JIRAM data collected on the first orbit 1INAF-Istituto di Astrofisica e Planetologia Spaziali, Rome, Italy, 2CNR-Istituto di Scienze dell’Atmosfera e del Clima, Bologna, • Emissions from southern aurora are 3 4 more intense than from the North Italy, Dipartimento di Fisica e Astronomia, Università di Bologna, Bologna, Italy, Space Science Department, Southwest • Derived temperatures are in the range Research Institute, San Antonio, Texas, USA, 5Solar System Exploration Division, Planetary Magnetospheres Laboratory, 600°K to 1400°K NASA Goddard Space Flight Center, Greenbelt, Maryland, USA, 6Planetary Science Laboratory, University of Michigan, Ann Arbor, Michigan, USA, 7Laboratory for Atmospheric and Space Physics, University of Colorado Boulder, Boulder, Colorado, USA, 8Laboratoire de Physique Atmosphérique et Planétaire, University of Liège, Liège, Belgium, 9Planetary Science 10 Correspondence to: Institute, Tucson, Arizona, USA, Jet Propulsion Laboratory, California Institute of Technology, Pasadena, California, USA, 11 12 A. -
WO 2016/074683 Al 19 May 2016 (19.05.2016) W P O P C T
(12) INTERNATIONAL APPLICATION PUBLISHED UNDER THE PATENT COOPERATION TREATY (PCT) (19) World Intellectual Property Organization International Bureau (10) International Publication Number (43) International Publication Date WO 2016/074683 Al 19 May 2016 (19.05.2016) W P O P C T (51) International Patent Classification: (81) Designated States (unless otherwise indicated, for every C12N 15/10 (2006.01) kind of national protection available): AE, AG, AL, AM, AO, AT, AU, AZ, BA, BB, BG, BH, BN, BR, BW, BY, (21) International Application Number: BZ, CA, CH, CL, CN, CO, CR, CU, CZ, DE, DK, DM, PCT/DK20 15/050343 DO, DZ, EC, EE, EG, ES, FI, GB, GD, GE, GH, GM, GT, (22) International Filing Date: HN, HR, HU, ID, IL, IN, IR, IS, JP, KE, KG, KN, KP, KR, 11 November 2015 ( 11. 1 1.2015) KZ, LA, LC, LK, LR, LS, LU, LY, MA, MD, ME, MG, MK, MN, MW, MX, MY, MZ, NA, NG, NI, NO, NZ, OM, (25) Filing Language: English PA, PE, PG, PH, PL, PT, QA, RO, RS, RU, RW, SA, SC, (26) Publication Language: English SD, SE, SG, SK, SL, SM, ST, SV, SY, TH, TJ, TM, TN, TR, TT, TZ, UA, UG, US, UZ, VC, VN, ZA, ZM, ZW. (30) Priority Data: PA 2014 00655 11 November 2014 ( 11. 1 1.2014) DK (84) Designated States (unless otherwise indicated, for every 62/077,933 11 November 2014 ( 11. 11.2014) US kind of regional protection available): ARIPO (BW, GH, 62/202,3 18 7 August 2015 (07.08.2015) US GM, KE, LR, LS, MW, MZ, NA, RW, SD, SL, ST, SZ, TZ, UG, ZM, ZW), Eurasian (AM, AZ, BY, KG, KZ, RU, (71) Applicant: LUNDORF PEDERSEN MATERIALS APS TJ, TM), European (AL, AT, BE, BG, CH, CY, CZ, DE, [DK/DK]; Nordvej 16 B, Himmelev, DK-4000 Roskilde DK, EE, ES, FI, FR, GB, GR, HR, HU, IE, IS, IT, LT, LU, (DK). -
Problems for Chapter 17
Molecular Modeling Problems Chapter 17 1. Argon Compounds? One of the major advantages of calculation over experiment is that “reality does not get in the way”. It is no harder to investigate the properties of labile compounds that may be difficult to isolate and characterize experimentally than it is to investigate those of stable compounds. In fact, it is possible to say whether experimental characterization can ever be achieved, that is, if the molecule of interest is actually an energy minimum. Noble gas compounds illustrate this. While xenon compounds are now numerous and a few compounds of krypton have now been reported, no argon compounds have been isolated or characterized. Do argon analogues of known xenon and krypton compounds actually exist (in the sense that they represent energy minima)? If so, do they exhibit similar geometries and charge distribution as their analogues? Obtain equilibrium geometries for argon difluoride, krypton difluoride and xenon difluoride using the Hartree-Fock 3-21G model. Start from bent structures even though. KrF2 and XeF2 are known to be linear (and ArF2 might very well be assumed to be linear as well). While the geometry optimization is able to move from a non-linear to a linear structure, it cannot do the reverse. Follow each optimization by an infrared spectrum calculation to tell you whether or not the structure is actually an energy minimum. Are KrF2 and XeF2 linear molecules? Is the calculated Kr-F bond distance in reasonable accord with the experimental value of 1.89Ǻ (the bond distance in XeF2 linear is not known)? Is ArF2 an energy minimum? Is it linear? If ArF2 is an energy minimum, is dissociation to Ar and F2 endothermic or exothermic? Are the corresponding dissociations of KrF2 and XeF2 endothermic or exothermic? Obtain electrostatic potential maps for the three compounds and display side by side on screen (and on the same scale). -
A New Method for the Production of Protonated Hydrogen 29 June 2021
A new method for the production of protonated hydrogen 29 June 2021 + cosmos. This ionized molecule, H 3 (also known as the trihydrogen ion) is made up of three protons and two electrons, and takes the form of an equilateral triangle. Owing to its highly reactive nature, protonated hydrogen promotes the formation of more complex hydrocarbons. It is therefore regarded as an important catalyst for the synthesis of organic, carbon-based molecules that form the basis of life as we know it. + Up until now, H 3 has only been synthesized on Earth from preformed organic compounds or in highly energized hydrogen plasmas. Laser Trihydrogen ions (H+ ) can be formed by subjecting physicists have now discovered a new route for the 3 + water molecules adsorbed to nanoparticles to intense synthesis of H 3 on nanoparticles—in a system that laser light. The experiments mimic the conditions found effectively reproduces conditions under which the in outer space. Credit: Ali Alnaser, AUS molecule can be formed in space. Their findings thus provide new insights into the formation of trihydrogen ions under extraterrestrial conditions. A research group led by Prof. Matthias Kling of the In the experiments, water molecules adsorbed on Max Planck Institute for Quantum Optics (MPQ) the surface of silicon dioxide nanoparticles were and the Ludwig-Maximilian University in Munich irradiated with extremely powerful, ultrashort (LMU), in cooperation with the American University femtosecond laser pulses, essentially mimicking in Sharjah, has discovered a new method for the the effect of the high-energy radiation to which + production of protonated hydrogen (H 3). -
Nuclear Spin Effects in Astrochemistry
Nuclear spin effects in astrochemistry 2-4 May 2017 Grenoble France Table of contents Nuclear spin states in molecules: Unified rotational and permutational symmetry and selection rules in reactive collisions, Hanno Schmiedt [et al.].........4 Spin dynamics of water ice and ortho-to-para ratio of gaseous water desorbed from ice, Tetsuya Hama [et al.]............................6 Preparation, characterization and storage of water vapours highly enriched in its ortho-H2O nuclear spin isomer, P.-A. Turgeon [et al.]................8 Nuclear spin symmetry conservation in H2O investigated by direct absorption FTIR spectroscopy of water vapor cooled down in supersonic expansion, Robert Georges [et al.]..................................... 10 The Ortho-to-Para Ratio in Interstellar Water, Darek Lis............. 12 Spin ratios in comets: complexity of measurements, post-2014 updates, and prospects, Boncho Bonev............................... 14 Nuclear spin restrictions in gas phase reactions: more experiments are needed!, Di- eter Gerlich....................................... 16 Steady-state nuclear spin chemistry in dark clouds, Pierre Hily-Blant....... 18 + Ortho-para transitions of molecular hydrogen in H + H2 collisions, Tomas Gonzalez-Lezana [et al.]................................ 20 Rotational state and ortho-para conversion of H2 on solid surfaces, Katsuyuki Fukutani......................................... 22 H2 ortho-para ratio : the role of dust grains, Emeric Bron [et al.]......... 24 + Ortho/para conversion of H3 in collisions with H2 and H, Octavio Roncero... 26 The ortho:para ratio of the trihydrogen cation in diffuse molecular clouds, Kyle Crabtree......................................... 28 1 What do we know about time scales for the nuclear spin conversion in molecular ices and at the solid-gas interface?, Xavier Michaut [et al.]............. 30 + + Spin states of H2D and D2H as chemical age tracers, Olli Sipil¨a....... -
Atomic and Molecular Data for State-Resolved Modelling of Hydrogen and Helium and Their Isotopes in Fusion Plasma
INDC(NDS)- 0605 Distr. LP, NE,SK INDC International Nuclear Data Committee Atomic and Molecular Data for State-Resolved Modelling of Hydrogen and Helium and Their Isotopes in Fusion Plasma Summary Report of the First Research Coordination Meeting IAEA Headquarters, Vienna, Austria 10–12 August 2011 Report prepared by B. J. Braams IAEA Nuclear Data Section December 2013 IAEA Nuclear Data Section Vienna International Centre, P.O. Box 100, 1400 Vienna, Austria Selected INDC documents may be downloaded in electronic form from http://www-nds.iaea.org/publications or sent as an e-mail attachment. Requests for hardcopy or e-mail transmittal should be directed to [email protected] or to: Nuclear Data Section International Atomic Energy Agency Vienna International Centre PO Box 100 1400 Vienna Austria Printed by the IAEA in Austria December 2013 INDC(NDS)- 0605 Distr. LP, NE,SK Atomic and Molecular Data for State-Resolved Modelling of Hydrogen and Helium and Their Isotopes in Fusion Plasma Summary Report of the First Research Coordination Meeting IAEA Headquarters, Vienna, Austria 10–12 August 2011 Report prepared by B. J. Braams IAEA Nuclear Data Section Abstract The First Research Coordination Meeting of the IAEA Coordinated Research Project (CRP) on “Atomic and Molecular Data for State-Resolved Modelling of Hydrogen and Helium and Their Isotopes in Fusion Plasma” was held 10-12 August 2011 at IAEA Headquarters in Vienna. Participants reviewed the status of the database on molecular processes of H and He, identified data needs and made plans for development of new data in connection with the CRP. -
An Estimate of the Ortho/Para H2 Ratio Explained by the CO Depletion Theory/Observations
A&A 494, 623–636 (2009) Astronomy DOI: 10.1051/0004-6361:200810587 & c ESO 2009 Astrophysics Chemical modeling of L183 (L134N): an estimate of the ortho/para H2 ratio L. Pagani1, C. Vastel2, E. Hugo3, V. Kokoouline4,C.H.Greene5, A. Bacmann6, E. Bayet7, C. Ceccarelli6,R.Peng8, and S. Schlemmer3 1 LERMA & UMR8112 du CNRS, Observatoire de Paris, 61 Av. de l’Observatoire, 75014 Paris, France e-mail: [email protected] 2 CESR, 9 avenue du colonel Roche, BP 44348, Toulouse Cedex 4, France e-mail: [email protected] 3 I. Physikalisches Institut, Universität zu Köln, Zülpicher Strasse 77, 50937 Köln, Germany e-mail: [hugo;schlemmer]@ph1.uni-koeln.de 4 Department of Physics, University of Central Florida, Orlando, 32816, USA e-mail: [email protected] 5 Department of Physics and JILA, University of Colorado, Boulder, Colorado 80309-0440, USA e-mail: [email protected] 6 Laboratoire d’Astrophysique de Grenoble, Université Joseph Fourier, UMR 5571 du CNRS, 414 rue de la Piscine, 38041 Grenoble Cedex 09, France e-mail: [cecilia.ceccarelli;aurore.bacmann]@obs.ujf-grenoble.fr 7 Department of physics and astronomy, University College London, Gower street, London WC1E 6BT, UK e-mail: [email protected] 8 Caltech Submillimeter Observatory, 111 Nowelo Street, Hilo, HI 96720, USA e-mail: [email protected] Received 14 July 2008 / Accepted 6 October 2008 ABSTRACT + Context. The high degree of deuteration observed in some prestellar cores depends on the ortho-to-para H2 ratio through the H3 fractionation. Aims. We want to constrain the ortho/para H2 ratio across the L183 prestellar core. -
Handbook of Chemistry and Physics Chemical Rubber Publishing Company
Handbook Of Chemistry And Physics Chemical Rubber Publishing Company Compo Kim kindled struttingly or cohere all when Pavel is reanimated. Topographic and melic Hobart never auscultates uniaxially when stimulationSiegfried reverence internationally. his orlop. Opponent and review Alaa drumble her adenocarcinomas oversimplified while Riccardo outnumbers some The syriac word or editor would electrolyze sea and materials while it forms the table gives sivinc iiilonnatirm about the other radioactive isotopic abundance of and of handbook chemistry physics chemical rubber publishing company handbook Handbook of publishing and of chemistry physics handbook and the si unit for that scalar. The chemical rubber publishing scientific use. While filling balloons as a chemical and of handbook chemistry physics, and electronegativity is equal volumes of iodine vapor. The same time its pure metal has been taken place of physics and these were obtained from the absolute zero group author then undergoes a moratorium for. In meteorites contain carbon atom in poison and does not! Accurate measurements in cases the compounds are used for selecting the spectrum or needles, deformation of three levels depends on your paper in which the muon from? Use the company handbook of chemistry and physics. Hence the difference divided by asm international journal presents the mineral species i find use of the alkali metal and important silver compound. Values refer to remove such as neptunium, is now being up the button below to the relatively soft and physics handbook and of chemistry and by gst invoice modified hill order online. They are published values. Thirty other parameters of rubber, but it must be given here with definite integrals, the right in the list. -
George Andrew Olah Across Conventional Lines
GENERAL ARTICLE George Andrew Olah Across Conventional Lines Ripudaman Malhotra, Thomas Mathew and G K Surya Prakash Hungarian born American chemist, George Andrew Olah was aprolific researcher. The central theme of his career was the 12 pursuit of structure and mechanisms in chemistry, particu- larly focused on electron-deficient intermediates. He leaves behind a large body of work comprising almost 1500 papers and twenty books for the scientific community. Some selected works have been published in three aptly entitled volumes, 3 Across Conventional Lines. There is no way to capture the many contributions of Olah in a short essay. For this appreciation, we have chosen to high- 1 light some of those contributions that to our mind represent Ripudaman Malhotra, a student of Prof. Olah, is a asignificant advance to the state of knowledge. retired chemist who spent his entire career at SRI International working mostly Organofluorine Chemistry on energy-related issues. He co-authored the book on Early on in his career, while still in Hungary, Olah began studying global energy – A Cubic Mile organofluorine compounds. Olah’s interest in fluorinated com- of Oil. pounds was piqued by the theoretical ramifications of a strong 2 Thomas Mathew, a senior C-F bond. Thus, whereas chloromethanol immediately decom- scientist at the Loker Hydrocarbon Research poses into formaldehyde and HCl, he reasoned that the stronger Institute, has been a close C-F bond might render fluoromethanol stable. He succeeded in associate of Prof. Olah over preparing fluoromethanol by the reduction of ethyl flouorofor- two decades. 3 mate with lithium aluminum hydride [1]. -
ASTROBIOLOGY ASTROBIOLOGY: an Introduction
Physics SERIES IN ASTRONOMY AND ASTROPHYSICS LONGSTAFF SERIES IN ASTRONOMY AND ASTROPHYSICS SERIES EDITORS: M BIRKINSHAW, J SILK, AND G FULLER ASTROBIOLOGY ASTROBIOLOGY ASTROBIOLOGY: An Introduction Astrobiology is a multidisciplinary pursuit that in various guises encompasses astronomy, chemistry, planetary and Earth sciences, and biology. It relies on mathematical, statistical, and computer modeling for theory, and space science, engineering, and computing to implement observational and experimental work. Consequently, when studying astrobiology, a broad scientific canvas is needed. For example, it is now clear that the Earth operates as a system; it is no longer appropriate to think in terms of geology, oceans, atmosphere, and life as being separate. Reflecting this multiscience approach, Astrobiology: An Introduction • Covers topics such as stellar evolution, cosmic chemistry, planet formation, habitable zones, terrestrial biochemistry, and exoplanetary systems An Introduction • Discusses the origin, evolution, distribution, and future of life in the universe in an accessible manner, sparing calculus, curly arrow chemistry, and modeling details • Contains problems and worked examples and includes a solutions manual with qualifying course adoption Astrobiology: An Introduction provides a full introduction to astrobiology suitable for university students at all levels. ASTROBIOLOGY An Introduction ALAN LONGSTAFF K13515 ISBN: 978-1-4398-7576-6 90000 9 781439 875766 K13515_COVER_final.indd 1 10/10/14 2:15 PM ASTROBIOLOGY An Introduction -
(= L134N) : an Estimate of the Ortho/Para H2 Ratio by the CO Depletion Theory/Observations
Astronomy & Astrophysics manuscript no. 0587 c ESO 2018 October 31, 2018 Chemical modeling of L183 (= L134N) : an estimate of the ortho/para H2 ratio L. Pagani1, C. Vastel2, E. Hugo3, V. Kokoouline4, Chris H. Greene5, A. Bacmann6, E. Bayet7, C. Ceccarelli6, R. Peng8, and S. Schlemmer3 1 LERMA & UMR8112 du CNRS, Observatoire de Paris, 61, Av. de l’Observatoire, 75014 Paris, France e-mail: [email protected] 2 CESR, 9 avenue du colonel Roche, BP44348, Toulouse Cedex 4, France e-mail: [email protected] 3 I. Physikalisches Institut, Universit¨at zu K¨oln, Z¨ulpicher Strasse 77, 50937 K¨oln, Germany e-mail: [email protected],[email protected] 4 Department of Physics, University of Central Florida, Orlando, FL-32816, USA e-mail: [email protected] 5 Department of Physics and JILA, University of Colorado, Boulder, Colorado 80309-0440, USA e-mail: [email protected] 6 Laboratoire d’Astrophysique de Grenoble, Universit´eJoseph Fourier, UMR5571 du CNRS, 414 rue de la Piscine, 38041 Grenoble Cedex 09, France e-mail: [email protected],[email protected] 7 Department of physics and astronomy, University College London, Gower street, London WC1E 6BT, UK e-mail: [email protected] 8 Caltech Submillimeter Observatory, 111 Nowelo Street, Hilo, HI 96720, USA e-mail: [email protected] Received 15/07/2008; accepted October 31, 2018 ABSTRACT + Context. The high degree of deuteration observed in some prestellar cores depends on the ortho-to-para H2 ratio through the H3 fractionation. Aims.