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Дисертації з теми "Complex organic molecules"

Автор: Grafiati

Опубліковано: 10 березня 2023

Оновлено: 26 липня 2025

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1

Saywell, Alexander. "2D organisation of complex organic molecules." Thesis, University of Nottingham, 2010. http://eprints.nottingham.ac.uk/14588/.

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The self-assembly of two-dimensional molecular systems is of significant interest, offering an insight into the fundamental interactions which drive the formation of complex supramolecular structures. A careful choice of the molecular 'building blocks' for such self-assembled systems potentially allows the design and production of nanoscale architectures with pre-determined geometries and specific chemical functionalities. Within this thesis the two-dimensional structures formed by the self-assembly of complex organic molecules, deposited on an Au(111) surface held in an ultrahigh vacuum (URV)

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2

Al-Edhari, Ali Jaber. "Complex organic molecules in solar-type star forming regions." Thesis, Université Grenoble Alpes (ComUE), 2016. http://www.theses.fr/2016GREAY048/document.

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Le but de la présente thèse est l'étude de la compléxité moléculaire dans les régions de formation stellaires. Cette thèse s'axe sur deux classes de molécule aux caractéristiques prébiotiques : les molécules organiques complexes et les cyanopolyynes.Dans ce contexte, j'ai analysé des données d'un seul échantillon de relevés spec- traux en exploitant des codes de transfert radiatif à l'équilibre thermodynamique local (LTE) et/ou non-LTE pour deux sources : une proto-étoile de type solaire dans un environnement calme (IRAS 16293-2422) et un proto-ama constitué de proto-étoile de type solaire (OM

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3

Sadownik, Jan. "Evolving complex systems from simple molecules." Thesis, St Andrews, 2009. http://hdl.handle.net/10023/857.

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4

Silva, Bermudez Phaedra Suriel. "Adsorption of complex organic molecules on metal single crystal surfaces." Thesis, University of Liverpool, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.426136.

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5

Clay, Matthew D. "Synthetic approaches to complex organic molecules: Desogestrel, acetylenic allenophanes, and Buckminsterfullerene." Thesis, University of Ottawa (Canada), 2006. http://hdl.handle.net/10393/29344.

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This thesis is composed of three sections and describes our work towards the synthesis of three molecules: Desogestrel, the first acetylenic allenophane, and Buckminsterfullerene. Section A details a tether-controlled diene-transmissive intramolecular Diels-Alder reaction approach to the oral contraceptive progestin Desogestrel. Using our indium-mediated gamma-pentadienylation chemistry as a key step, we synthesized tetraenes 92 and 68. Unfortunately, the intramolecular Diels-Alder reaction of these tetraenes resulted in formation of three isomers, bicyclo[4.3.0]nonenes 96 and 97, and the unus

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6

Vazart, Fanny. "Gas-phase formation of Complex Organic Models molecules in interstellar medium: computational investigations." Doctoral thesis, Scuola Normale Superiore, 2017. http://hdl.handle.net/11384/85813.

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[excerpt form the abstract:] In the field of astro- and prebiotic chemistry, the building blocks of life, which are molecules composed of more than 6 atoms, are called Complex Organic Molecules (COMs). Their appearances on the early inorganic Earth is therefore one of the major issues faced by researchers interested in the origin of life. In this thesis, split into three parts, the main purpose is to show how different COMs are formed in interstellar medium (ISM), using computational chemistry. The first part focuses mainly on preliminary studies aiming at evaluating the appropriate level of

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7

Repiscak, Peter. "Computational chemistry for complex systems : open-shell molecules to conjugated organic materials." Thesis, Heriot-Watt University, 2017. http://hdl.handle.net/10399/3348.

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This thesis focuses on two different, but equally challenging, areas of computational chemistry: transition metal organic molecule interactions and parameterisation of organic conjugated polymers for molecular dynamics simulations. The metal-binding properties are important for understanding of biomolecular action of type 2 diabetes drug and development of novel protocols for redox calculations of copper systems. In this area the challenge is mainly related to the complex electronic structure of the open-shell transition metals. The main challenges for the parameterisation of conjugated polyme

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8

Halfen, DeWayne Terrence. "Studies in Laboratory Spectroscopy and Radio Astronomy: From Simple Hydrides to Complex Organic Molecules." Diss., The University of Arizona, 2006. http://hdl.handle.net/10150/195962.

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There are two main objectives for this thesis. First, laboratory rotational spectra of metal-containing molecules were measured using the millimeter-wave spectrometers of the Ziurys group. Second, radio astronomical observations were performed on a number of the molecules measured in the laboratory, along with several organic species. The laboratory work is essential to the discovery of new molecules in the interstellar medium, and the understanding of the chemical composition of the universe. Identification of these species can only occur after their pure rotational spectra have been measured

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9

Rahnejat, K. A. "Capturing complex reaction pathways step by step : organic molecules on the Si(001) surface." Thesis, University College London (University of London), 2015. http://discovery.ucl.ac.uk/1473368/.

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Experts expect that inherent limitations in semiconductor electronics will become apparent within the next couple of decades. Consequently, the construction of novel electronic-devices that surpass existing technologies in both miniaturisation and intrinsic functionality is becoming increasingly important. The assembly of nanoscale circuitries comprised of individual, synthetically-tailored molecules designed to substitute conventional electronic-components is a popular approach to tackling this challenge. The incorporation of functional molecules with existing silicon-based electronics is the

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10

Kong, Caleb J. "Engineering High Reaction Economy or, An Intensification/Scoring Program for the Preparation of Simple and Complex Molecules." VCU Scholars Compass, 2019. https://scholarscompass.vcu.edu/etd/6023.

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Success of newly discovered chemistry in academia is often scored in terms of its novelty and level of scholarship. In industrial settings, cost, safety and quality are often times the ruler by which new processes are measured. Our group has identified that there is a gap between these two measures of success and has sought to develop principles in order formalize an approach to synthetic strategy and developing ready-to-implement manufacturing processes for molecules, simple and complex. Some of these principles include (1) the development and application of new chemical methods and reactor t

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11

Dickson, Nicole Marie. "Exploration of the Excited States of Organic Molecules and Metal Complexes Using Ultrafast Laser Spectroscopy." The Ohio State University, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=osu1306872674.

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12

Mishra, Arpit. "First-principles investigation of molecules’ adsorption on complex surfaces of perovskites : the case of organic/inorganic perovskites for photovoltaic applications." Electronic Thesis or Diss., Université de Lorraine, 2021. http://www.theses.fr/2021LORR0255.

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Afin d'étudier la dégradation des pérovskites dans les conditions ambiantes, l'adsorption de molécules telles que CO, CO2, O2 et H2O est effectuée sur les surfaces des pérovskites d'halogénure organique/inorganique ont été étudiées au niveau des premiers principes, en utilisant une fonctionnelle hybride d'échange-corrélation optimisée pour donner une description de leurs propriétés structurelles, électroniques et dynamiques, en bon accord avec l'expérience. Pour la pérovskite à halogénure inorganique/organique, les dalles sans défaut terminées par CsX/MAI et PbX2 ont été considérées, et leurs

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13

Bellavance, Gabriel. "Part A: Development of a Modular Synthetic Approach to Polycyclic Polyprenylated Acylphlorogluginols: Total Synthesis of Papuaforin A, B, C, Hyperforin and Formal Synthesis of Nemorosone. Part B: Studies Toward the Synthesis of Ginkgolides." Thesis, Université d'Ottawa / University of Ottawa, 2016. http://hdl.handle.net/10393/34630.

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Polycyclic Polyprenylated Acylphloroglucinols (PPAPs) are a vast family of natural products, which includes more than 200 members. They contain a stunningly complex molecular architecture which in most cases includes a bicyclo[3.3.1]nonane core. PPAPs have been of interest to the scientific community for their intricate structure, their powerful aid in treating many ailments and large portfolio of biological activities. More particularly, they have been of synthetic interest since 1999 with the first report of an approach to these complicated cores by Nicolaou. Herein, we present the first tot

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14

Alnagi, Omar. "Reaction de la trimethylphosphine sur les sels de cobalt (ii) : synthese des complexes pentacoordonnes cox::(2)(pme::(3))::(3) (x=c1**(-), br**(-), i**(-), ncs**(-), no::(2)**(-)), reactivite vis-a-vis de petites molecules co, no et o::(2)." Toulouse 3, 1987. http://www.theses.fr/1987TOU30048.

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Synthese et etude physicochimique des complexes. Reactivite. Etude cristallographique de la structure indiquant une geometrie de bipyramide trigonale deformee quand x**(-)=cl**(-),br**(-),i**(-),ncs**(-) et une geometrie de pyramide a base carree pour x=no::(2)**(-). Etude des substitutions par co,no et o::(2)

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15

Jonušas, Mindaugas. "Study of photo-induced and radical reactions between CH4 and NH3 : astrochemical applications." Thesis, Sorbonne université, 2018. http://www.theses.fr/2018SORUS048/document.

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L'eau joue un rôle fondamental dans la photochimie du milieu interstellaire (MIS), à travers la formation d'espèces très réactives comme OH. Les radicaux OH peuvent par la suite interagir avec d'autres molécules hydrogénées pour reformer H2O par abstraction d'hydrogène: R-H + OH → R* + H2O. Dans le cadre de ce travail de thèse, nous avons étudié l'influence des photons VUV sur des analogues de glace interstellaire. Nous montrons que l'incorporation d'une petite quantité d'eau dans NH3 et CH4 glaces augmente considérablement la formation de radicaux réactifs comme NH2 et CH3 pendant le processu

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16

Gilles, Laure. "Découverte et synthèse chimique d'odorants par des technologies innovantes." Electronic Thesis or Diss., Université Côte d'Azur, 2022. http://www.theses.fr/2022COAZ4100.

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Les contraintes réglementaires des autorités nationales et internationales et les exigences des consommateurs de plus en plus importantes, ainsi que la quête de nouvelles compositions originales, incitent l'industrie de la parfumerie à être constamment à la recherche de nouvelles molécules organoleptiques sûres, durables et innovantes. À cet égard, grâce à la grande diversité du règne végétal, les substances naturelles complexes (SNC), sont une source riche d'ingrédients. Elles sont également une source d'inspiration pour les chimistes, qui peuvent utiliser la synthèse pour avoir un accès cont

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17

Lahoud, Marcelo Galindo [UNESP]. "Síntese e investigação da potencialidade de aplicação como material molecular de espécies discretas e Metal Organic Frameworks (MOFs) baseados em íons terras raras." Universidade Estadual Paulista (UNESP), 2016. http://hdl.handle.net/11449/143479.

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18

Hartstock, Frederick W. "Activation of organic molecules by transition metal complexes." Thesis, University of Ottawa (Canada), 1987. http://hdl.handle.net/10393/5306.

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19

Galzerano, Patrizia <1982&gt. "New organocatalytic asymmetric strategies: simply catalysts for complex molecules." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2010. http://amsdottorato.unibo.it/2960/1/Galzerano_Patrizia_tesi.pdf.

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20

Galzerano, Patrizia <1982&gt. "New organocatalytic asymmetric strategies: simply catalysts for complex molecules." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2010. http://amsdottorato.unibo.it/2960/.

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21

Robertson, Craig Collumbine. "Building complex systems based on simple molecular architectures." Thesis, University of St Andrews, 2011. http://hdl.handle.net/10023/2573.

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Over the past twenty years molecules capable of templating their own synthesis, so called self–replicating molecules have gained prominence in the literature. We show herein that mixing the reagents for replicating molecules can produce a network of self–replicators which coexist and that the networks can be instructed by the addition of preformed template upon initiation of the reaction. Whilst self–replicating molecules offer the simplest form of replication, nature has evolved to utilise not minimal self–replication but reciprocal replication where one strand templates the formation of not

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22

Kettley, J. C. "Van der Waals complexes of large aromatic molecules." Thesis, University of Nottingham, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.371128.

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23

Tahiri, Mohamed. "Phtalocyanines de fer(i) et de fer(0) : synthese, structure et reactivite." Université Louis Pasteur (Strasbourg) (1971-2008), 1987. http://www.theses.fr/1987STR13043.

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Synthese et caracterisation d'une serie de complexes monoreduits de phtalocyanine de fer de type (fe pc r::(8))**(-) ou r=och::(3), ch::(3), h, cl et cn. On donne les structures par rx de composes monoanioniques et dianionique fe pc**(-) et fe pc**(2-). Proprietes chimiques de fe pc**(2-). De tels especes peuvent etre des modeles d'intermediaires formes dans la reaction de la phenylhydrazine sur la metmyoglobine ou dans le metabolisme de substrats suicides par cytochrome p450

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24

Nordlund, Michael. "Carbon Nanostructures – from Molecules to Functionalised Materials : Fullerene-Ferrocene Oligomers, Graphene Modification and Deposition." Doctoral thesis, Uppsala universitet, Organisk kemi, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-327189.

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The work described in this thesis concerns development, synthesis and characterisation of new molecular compounds and materials based on the carbon allotropes fullerene (C60) and graphene. A stepwise strategy to a symmetric ferrocene-linked dumbbell of fulleropyrrolidines was developed. The versatility of this approach was demonstrated in the synthesis of a non-symmetric fulleropyrrolidine-ferrocene-tryptophan triad. A new tethered bis-aldehyde, capable of regiospecific bis-pyrrolidination of a C60-fullerene in predominantly trans fashion, was designed, synthesised and reacted with glycine and

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25

Delavaux, Béatrice. "Complexes heterobimetalliques hydrures (ru-m) (m=rh,ir,cu) a ligands bisdiphenylphosphinomethane : synthese et reactivite." Toulouse 3, 1986. http://www.theses.fr/1986TOU30078.

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Synthese de complexes hydruro a coordinat dppm : ph::(2) pch::(2) pph::(2). L'etude de la reactivite de certains complexes comme rurhh::(2)cl(cod) (dppm)::(2), conduit a la preparation de nouveaux hydrures dont on etudie les structures

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26

Cragg-Hine, Ian. "Early main group metal complexes of multi-functional organic molecules." Thesis, University of Cambridge, 1995. https://www.repository.cam.ac.uk/handle/1810/271932.

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27

Yates, P. C. "Investigation of molecular structure of macrocyclic complexes." Thesis, University of Reading, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.373770.

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28

Higgins, Jessica Anne. "Organouranium complexes for the insertion and reduction of small molecules." Thesis, University of Sussex, 2014. http://sro.sussex.ac.uk/id/eprint/53503/.

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This thesis explores the behaviour of U(III) and U(IV) organometallic complexes towards small molecules, with respect to both their reductive activity and insertion chemistry. A range of mixed-sandwich U(IV) organyl complexes of the form U(η-C8H6{1,4-SiiPr3}2)(η-C5Me5)(R) (= U(COTTIPS2Cp*(R), where R = CH3, CH2Ph, CH2TMS, CH{TMS}2) have been synthesised and the products of their reactions with CO2, CO, and H2 (κ2-carboxylates, η2-acyls, and a monomeric terminal hydride) have been characterised – all of which are formed under mild conditions (< 1 atm of gas, sub-ambient temperature). The hydrid

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29

Hu, Jin. "The binding and activation of small molecules by rhenium thiolato-complexes." Thesis, University of Essex, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.306071.

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30

Ball, S. C. "Studies on new mono- and di-lithiated complexes of organic molecules." Thesis, University of Cambridge, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.596320.

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This thesis describes the syntheses and characterisations of new mono- and di-lithiated complexes of organic molecules of the general formula [(R<SUP>x-</SUP>).xLi<SUP>+</SUP>].yL. The anion R<SUP>x-</SUP> is either derived from a primary amine or is from a multifunctional organic molecule, containing one or more heteroatoms (usually N or S). The complexes have been prepared either by direct reaction of a simple amine with a metal source (solutions of <SUP>n</SUP>BuLi, <SUP>t</SUP>BuLi, LDA), or via a multi-stage reaction following an established synthetic organic protocol, attempt to isolate

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31

Mitsutake, Ayori, and Yuko Okamoto. "Multidimensional generalized-ensemble algorithms for complex systems." American Institite of Physics, 2009. http://hdl.handle.net/2237/12622.

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32

Senevirathna, Wasana. "Azadipyrromethene-based Metal Complexes as 3D Conjugated Electron Acceptors for Organic Solar Cells." Case Western Reserve University School of Graduate Studies / OhioLINK, 2014. http://rave.ohiolink.edu/etdc/view?acc_num=case1402062085.

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33

Tkacheva, T. N., S. L. Yefimova, V. K. Klochkov, A. V. Sorokin, and Yu V. Malyukin. "Spectroscopic Study of Cationic Carbocyanine Dye Binding to GdYVO4:Eu Nanoparticles." Thesis, Sumy State University, 2012. http://essuir.sumdu.edu.ua/handle/123456789/35005.

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The interaction of the inorganic nanoparticles (GdYVO4:Eu, d 2 nm) and organic carbocyanine dye 3,3’ -diethyloxa-carbocyanine iodide (DiOC2) has been studied spectrophotometrically. The formation of complexes of dye molecules with spherical nanoparticles GdYVO4:Eu in aqueous solutions of cationic dye DiOC2 was found. It is shown that nanoparticle GdYVO4:Eu can form a complex with 5-10 molecules of the cationic dye DiOC2 which leads to the decrease in the intensity of the absorption and luminescence spectra of the dye in aqueous solution. When you are citing the document, use the following

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34

Guérin, Frédéric. "Pyridine diamide complexes of early transition metals, activation of small organic molecules." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1998. http://www.collectionscanada.ca/obj/s4/f2/dsk2/ftp03/NQ27151.pdf.

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35

Jazzar, Rodolphe Fouad Rene. "Small molecule activation by ruthenium phosphine and N-heterocyclic carbene complexes." Thesis, University of Bath, 2003. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.275790.

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36

Meyer, Jörg, Anja Wadewitz, Lokamani, et al. "Molecules for organic electronics studied one by one." Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2014. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-138788.

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The electronic and geometrical structure of single difluoro-bora-1,3,5,7-tetraphenyl-aza-dipyrromethene (aza-BODIPY) molecules adsorbed on the Au(111) surface is investigated by low temperature scanning tunneling microscopy and spectroscopy in conjunction with ab initio density functional theory simulations of the density of states and of the interaction with the substrate. Our DFT calculations indicate that the aza-BODIPY molecule forms a chemical bond with the Au(111) substrate, with distortion of the molecular geometry and significant charge transfer between the molecule and the substrate.

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37

Meyer, Jörg, Anja Wadewitz, Lokamani, et al. "Molecules for organic electronics studied one by one." Royal Society of Chemistry, 2011. https://tud.qucosa.de/id/qucosa%3A27781.

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The electronic and geometrical structure of single difluoro-bora-1,3,5,7-tetraphenyl-aza-dipyrromethene (aza-BODIPY) molecules adsorbed on the Au(111) surface is investigated by low temperature scanning tunneling microscopy and spectroscopy in conjunction with ab initio density functional theory simulations of the density of states and of the interaction with the substrate. Our DFT calculations indicate that the aza-BODIPY molecule forms a chemical bond with the Au(111) substrate, with distortion of the molecular geometry and significant charge transfer between the molecule and the substrate.

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38

Dri, Carlo. "Characterization and manipulation of single molecules and molecular complexes by low temperature scanning tunneling microscopy." Doctoral thesis, Università degli studi di Trieste, 2008. http://hdl.handle.net/10077/2610.

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2006/2007<br>The first part of this thesis work concerns the development of an ultra–high–vacuum experimental system, hosting a commercial Low Temperature Scanning Tunneling Microscope (LT-STM), that has been built for characterizing and manipulating single molecules and molecular complexes adsorbed on metal surfaces. The design from scratch, the commissioning and the performance tests of the various components of the system are presented. The preparation chamber that has been developed provides the fundamental surface preparation and analysis instruments, combining the STM analysis with other

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39

Bissonnette, Martine C. "Ion/radical and ion/molecule complexes and ion structure assignments in the gas phase." Thesis, University of Ottawa (Canada), 1991. http://hdl.handle.net/10393/7731.

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The fragmentation mechanism of ionized neopentanol, (CH$\sb3$)$\sb3$CCH$\sb2$OH$\sp{+-}$, has been studied in great detail along with other C$\sb5$H$\sb $H$\sp{+-}$ isomers. The use of $\sp $C and D labelling was found an essential tool to establish the relation between the other species involved in the dissociation of neopentanol. The involvement of (CH$\sb3$)$\sb2$C$\sp{\cdot}$CH$\sb2\sp+$(O)HCH$\sb3$, (CH$\sb3$)$\sb3$C$\sp+$(O)HCH$\sb2$ and (CH$\sb3$)$\sb2$($\sp\cdot$CH$\sb2$)CCH$\sb2\sp+$OH$\sb2$ was essential to explain the H/D label exchange occurring upon fragmentation of neopentyl alco

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40

Caulfield, Jason M. "Magnetic quantum oscillations in organic metals based on the molecule bis(ethylenedithio)tetrathiafulvalene." Thesis, University of Oxford, 1994. http://ora.ox.ac.uk/objects/uuid:5fbf2599-96d8-4eac-b882-ac74213ac3a5.

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ET charge transfer salts (where ET is <en>bis(ethylenedithio)- tetrathiafulvalene) have relatively simple quasi two-dimensional Fermi surface topologies, making them ideal for the study of the relationship between bandstructure and properties such as superconductivity. Experimental studies of the Fermi surface areas and associated effective masses have been carried out using the Shubnikov-de Haas (SdH) and de Haas-van Alphen (dHvA) effects. By comparing the experimental results to theoretical bandstructure calculations the strength of many body interactions has been estimated. High pressure ma

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41

Magri, Andrea. "Multifunctional complexes for molecular devices." Thesis, Strasbourg, 2014. http://www.theses.fr/2014STRAE036/document.

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Les semi-conducteurs organiques à base d’aluminium ont été systématiquement synthétisés et caractérisés par méthodes photo-physiques et électrochimiques. Une étude de leur relation structure-propriétés électroniques a été menée. Les orbitales frontières ont été comparées à celles obtenues par calcul. De nouvelles méthodes ont été utilisées permettant une description de la morphologie des SCOs et un calcul de mobilité des porteurs de charges associés. La mobilité des trous dans Al(Op)3 a été mesurée sur des transistors en film minces: 0.6-2.1×10−6cm2V−1s−1. Par des techniques de spectroscopie e

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42

Khan, Mustayeen Ahmed. "Stabilite, spectres electroniques et structures des halogenocuprates en milieu protique." Université Louis Pasteur (Strasbourg) (1971-2008), 1988. http://www.theses.fr/1988STR13059.

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Etude des complexes de cu(ii) dans les solvants protiques l'eau, le methanol et l'acide acetique. On caracterise 4 complexes successsifs; calcul de leurs constantes de stabilite. Etude de l'effet du solvant sur les spectres electroniques

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43

Etienne, Michel. "Réactivité de complexes dinucléaires hydrure et alcénylidène ponte du fer vis-a-vis d'hydrocarbures cyanes insatures (mono et dicyanoacétylène, tétracyanoethylène)." Brest, 1988. http://www.theses.fr/1988BRES2009.

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Preparation de complexes avec des coordinats cyano-4 butadienyldene portants. On obtient egalement des complexes dinucleaires avec le tricyano-3,4,4 butadienylidene-1,3. Mecanisme ses reactions de migration de l'hydrogene allylique

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44

Ying, Tsang Min. "Multifunctional N,O-type carborane-based materials: from molecular complexes to three dimensional metal-organic frameworks." Doctoral thesis, Universitat Autònoma de Barcelona, 2015. http://hdl.handle.net/10803/305240.

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1) Por un lado se describe la síntesis de derivados del orto-, meta- y/o para-carborano mono- and bis-funcionalizados con grupos alcohol metil piridinas, con énfasis en la naturaleza quiral de dichasmoléculas y las estructurassupramoleculares en el estadosólido. El análisis de las estructurasmoleculares y supramoleculares de los derivados monosubstituidos racémicos y enantioméricamente puros obtenidos se han comparado con derivados relacionados anteriormente publicados. Esto ha permitido encontrar una correlación entre los ángulos de torsión OCCN de las moléculas y quiralidad de las hélices su

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45

Davesne, Vincent. "Organic spintronics : an investigation on spin-crossover complexes from isolated molecules to the device." Phd thesis, Université de Strasbourg, 2013. http://tel.archives-ouvertes.fr/tel-01062266.

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We have studied by STM, SQUID, X-ray reflectivity, X-ray diffraction, optical absorption and XAS Fe(phen)2(NCS)2 and Fe{[3,5-dimethylpyrazolyl]3BH}2 samples deposited by thermal evaporation on Cu(100), Co(100) and SiO2 substrates, and compared with results on powder samples. We have confirmed the existence of the soft X-ray induced excited spin state trapping (SOXIESST), and investigated its properties, in particular dynamic aspects. The effect is sensitive to the intensity and the structure of the applied X-ray beam, and is non-resonant. We suggest that its efficiency is also governed by meta

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46

Casati, Costanza <1984&gt. "Synthetic strategies of new molecular paramagnetic mechanically-interlocked complexes." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2011. http://amsdottorato.unibo.it/3778/1/Casati_Costanza_tesi.pdf.

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Supramolecular chemistry is a multidisciplinary field which impinges on other disciplines, focusing on the systems made up of a discrete number of assembled molecular subunits. The forces responsible for the spatial organization are intermolecular reversible interactions. The supramolecular architectures I was interested in are Rotaxanes, mechanically-interlocked architectures consisting of a "dumbbell shaped molecule", threaded through a "macrocycle" where the stoppers at the end of the dumbbell prevent disassociation of components and catenanes, two or more interlocked macrocycles whic

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47

Casati, Costanza <1984&gt. "Synthetic strategies of new molecular paramagnetic mechanically-interlocked complexes." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2011. http://amsdottorato.unibo.it/3778/.

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Анотація:

Supramolecular chemistry is a multidisciplinary field which impinges on other disciplines, focusing on the systems made up of a discrete number of assembled molecular subunits. The forces responsible for the spatial organization are intermolecular reversible interactions. The supramolecular architectures I was interested in are Rotaxanes, mechanically-interlocked architectures consisting of a "dumbbell shaped molecule", threaded through a "macrocycle" where the stoppers at the end of the dumbbell prevent disassociation of components and catenanes, two or more interlocked macrocycles whic

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48

Rhoad, Jonathan S. "DNA-binding carbohydrates for coordination to a photoactive dirhodium complex and molecular dynamics studies of methyl furanosides: evaluation of available force fields." The Ohio State University, 2004. http://rave.ohiolink.edu/etdc/view?acc_num=osu1101315894.

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49

Kahan, Rachel Jennifer. "Investigating the steric and electronic effects of low-valent uranium complexes on the activation of small molecules." Thesis, University of Sussex, 2015. http://sro.sussex.ac.uk/id/eprint/54170/.

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In the last decade substantial progress has been made in our understanding of uranium organometallic chemistry, specifically regarding the activation of small molecules by uranium(III) complexes. Research by Cloke and colleagues has employed dianionic eight- and monoanionic five-membered aromatic ligands around a uranium(III) centre to make mixed-sandwich systems, which have demonstrated novel reactivity with carbon monoxide and carbon dioxide. This thesis continues this work and furthers our understanding of the properties and reactivity of these complexes. The first part of this thesis descr

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50

Ellis, Robert. "Investigation of cobalt complexes of Schiff's bases and dioximes - radical precursors and molecular recognition." Thesis, University of Derby, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.293297.

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