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1

Poplaukhin, Pavel V. "Ytterbium(II) - group 6, 7 transition metal carbonyl complexes systematic synthesis and structural characterization /." Columbus, Ohio : Ohio State University, 2006. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1154373668.

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2

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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3

Ben, Nasr Chérif. "Complexation du nickel (II) et des lanthanides (III) par des phosphoramides bidentes : Application à l'extraction liquide-liquide." Nancy 1, 1986. http://www.theses.fr/1986NAN10032.

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Les composés de type (NME::(2))::(2)P(O)NRP(O)(NME::(2))::(2) complexent fortement lésions métalliques et peuvent être utilisés en tant qu'agents extractaires dans l'extraction liquide liquide. Synthèse systématique des complexes lanthanides-NDA. L'étude RMN a permis également de trier les contributions de contact et de pseudo-contact au déplacement paramagnétique des protons et des phosphores du ligand engagé dans le complexe et d'obtenir des informations concernant la structure des complexes en solution. Enfin, le problème de l'extraction liquide-liquide des lanthanides par le NIPA dans le n
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4

Diantouba, Bertin Aimé. "Effets structuraux des acyl-4-pyrazolones-5 dans l'extraction liquide-liquide des cations metalliques divalents." Université Louis Pasteur (Strasbourg) (1971-2008), 1988. http://www.theses.fr/1988STR13093.

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Etude de l'effet de l'acidite de la lipophilie et effets structuraux des acyl-4 pyrazolones-5 dans l'extraction de cu, co, zu et pb divalents. Extraction de 3 types de complexes metalliques : mononucleaires de type m(l-n-lh)::(2) ou m(l-n-l) et polynucleaires (m(l-n-l))::(j). Meilleures possibilites des bis-acyl-4 pyrazolones-5
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5

Nasri, Habib. "Synthese et caracterisation de porphyrines de fe(ii) et fe(iii) : modelisation du site actif du centre p460 present dans l'hydroxylamine oxydoreductase de la bacterie nitrosomonas europaea." Université Louis Pasteur (Strasbourg) (1971-2008), 1987. http://www.theses.fr/1987STR13149.

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Synthese de modeles du site actif du cytochrome p460 a l'etat reduit. Donc synthese et caracterisation d'une serie de complexes (fe(ii) (or)t piv pp)**(-) ou or=ome, oph, ophf::(4), oac; et des complexes fe(iii)cltpivpp, fe(iii)(oac)tpivpp, fe(iii)(so::(3)cf::(3))(h::(2)o)tpivpp
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6

Blair, Stuart James. "Phosphide complexes of the s-and f-elements." Thesis, University of Newcastle Upon Tyne, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.270176.

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7

Redfern, C. M. "Electronic structure of transition metal complexes." Thesis, University of Oxford, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.235094.

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8

Fine, David Andrew. "Structure and reactivity of dinuclear complexes of iridium /." Thesis, Connect to this title online; UW restricted, 1996. http://hdl.handle.net/1773/11618.

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9

Haas, Marco. "A synthetic approach to asymmetric phthalocyanines with peripheral metal-binding sites and their divalent Ruthenium complexes /." [S.l.] : [s.n.], 2006. http://www.zb.unibe.ch/download/eldiss/06haas_m.pdf.

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10

Krämer, Tobias. "Electronic structure of open-shell transition metal complexes." Thesis, University of Oxford, 2011. http://ora.ox.ac.uk/objects/uuid:1f4a1330-281d-4696-b3e6-62b76fb41d65.

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This thesis presents electronic structure calculations on problems related to the bonding in inorganic coordination compounds and clusters. A wide range of molecules with the ability to exist in different structural forms or electronic states has been selected and density functional theory is systematically applied in order to gain detailed insight into their characteristics and reactivity at the electronic level. First, we address the question of redox non-innocent behaviour of bipyridine in a series of 1st row transition metal complexes. Complexes of the type [M(2,2'-bipyridine)(mes)₂]<sup>0
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11

Disley, Helen Jane. "The electronic structure of transition metal dithiolene complexes." Thesis, University of Nottingham, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.478957.

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12

Gullo, Emanuel. "Structure, bonding and reactivity of metal-alkyl complexes." Thesis, King's College London (University of London), 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.399577.

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13

Barker, John Joseph. "Structure and conformation in phosphines and metal complexes." Thesis, University of Bristol, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.241511.

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14

Chen, Wei-Hsuan. "Triimine Complexes of Divalent Group 10 Metals for Use in Molecular Electronic Devices." Thesis, University of North Texas, 2010. https://digital.library.unt.edu/ark:/67531/metadc30443/.

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This research focused on the development of new metal triimine complexes of Pt(II), Pd(II), and Ni(II) for use in three types of molecular electronic devices: dye sensitized solar cells (DSSCs), organic light-emitting diodes (OLEDs), and organic field effect transistors (OFETs). Inorganic complexes combine many advantages of their chemical and photophysical properties and are processable on inexpensive and large area substrates for various optoelectronic applications. For DSSCs, a series of platinum (II) triimine complexes were synthesized and evaluated as dyes for nanocrystalline oxide semico
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15

Kaur, Gurpreet. "Structure and reactivity of dinuclear and polynuclear metal complexes." Thesis, University of Canterbury. Chemistry, 2014. http://hdl.handle.net/10092/9945.

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This thesis documents the successful syntheses of six novel 2,2':6',2"-terpyridine-amine based polydentate ligands and a range of mono-, di-, and polynuclear complexes derived from them. The ability of some dinuclear complexes to affect the rate of hydrolysis of the phosphate diester group in the DNA model compound, bis-p-nitrophenyl phosphate (BNPP) has also been explored. Owing to the presence of two potential ligating groups in each polydentate ligand, a number of dinuclear, tetranuclear and serendipitous supramolecular architectures have been produced and characterised during this research
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16

Lacy, O. M. "Synthesis, structure and reactivity of polynuclear transition metal complexes." Thesis, University of Newcastle Upon Tyne, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.370145.

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17

Whittell, George Robert. "Synthesis, structure and reactivity of transition metal-boryl complexes." Thesis, University of Bristol, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.322606.

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18

Smith, David Charles Goddard William A. Gray Harry B. "Electronic structure and photochemical reactivity of binuclear metal complexes." Diss., Pasadena, Calif. : California Institute of Technology, 1989. http://resolver.caltech.edu/CaltechTHESIS:11052009-142520920.

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Thesis (Ph. D.)--California Institute of Technology, 1989. UM #89-15,396.<br>Advisor names found in the Acknowledgements pages of the thesis. Title from home page. Viewed 01/19/2010. Includes bibliographical references.
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19

Campbell, Michael Glenn. "Synthesis, Structure, and Reactivity of New Palladium(III) Complexes." Thesis, Harvard University, 2014. http://dissertations.umi.com/gsas.harvard:11289.

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Palladium is one of the most common and versatile transition metals used in modern organometallic chemistry. The chemistry of palladium in its 0, +II, and +IV oxidation states is well-known; by comparison, the chemistry of palladium in its +III oxidation state is in its infancy. The work in this thesis involves the study of previously unknown Pd(III) complexes, including applications in materials chemistry and catalysis.<br>Chemistry and Chemical Biology
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20

D'Acchioli, Jason S. "On the nature of the electronics structure of metal-metal quadruply bonded complexes." Connect to resource, 2005. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1126621699.

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Thesis (Ph. D.)--Ohio State University, 2005.<br>Title from first page of PDF file. Document formatted into pages; contains xii, 286 p.; also includes graphics (some col.). Includes bibliographical references (p. 273-286). Available online via OhioLINK's ETD Center
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21

何建英 and Kin-ying Ho. "Synthesis, characterization and spectroscopic properties of d6 and d10metal complexes with pyridyl amine ligands." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 1999. http://hub.hku.hk/bib/B31220885.

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22

Jatcko, Mark Edward. "Ionization-structure relationships in metal-phosphine interactions." Diss., The University of Arizona, 1989. http://hdl.handle.net/10150/184942.

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The techniques of valence photoelectron spectroscopy (PES), X-ray diffraction, molecular orbital calculations, and multi-nuclear NMR are combined in a comparison of metal-phosphine bonding in a series of phosphine substituted molybdenum and tungsten metal carbonyl complexes, M(CO)(6-n)(P)(n) [n = 1,2,3,4,6]. The phosphine, P, represents either the mono-dentate phosphine, PMe₃, or one phosphine unit in the diphosphines, Me₂P(CH₂)ₓPMe₂, [x = 1, bis(dimethylphosphino)methane (DMPM); x = 2, 1,2-bis(dimethylphosphino)ethane (DMPE)]. Comparison of PMe₃ and the diphosphines in mono-dentate coordinati
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23

Flood, Kelly-Jayne. "Comparative X-ray Structure Analyses of Multidentate Transition Metal Complexes." Thesis, University of Canterbury. Chemistry, 2006. http://hdl.handle.net/10092/1390.

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The biological significance of macrocyclic complexes has been recognized since they were first synthesized by Neil Curtis. They have the potential to play a critical role in mimicking metalloprotein active sites. Nine Curtis macrocyclic complexes have been studied using X-ray crystallographic techniques. Their structures have been solved and comparisons of the results have been made. Biological importance is also true of the macrocyclic counterpart; side-off and end-off compartmental ligands. In some circumstances these types of ligands are more appropriate because they have extra flexibility
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24

Donnio, B. "Mesomorphic metal complexes of polycatenar stilbazoles : a structure/property study." Thesis, University of Sheffield, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.242211.

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25

Norris, Caroline. "The structure, reactivity and spectroscopy of selected transition metal complexes." Thesis, University of Sussex, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.496790.

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This thesis focuses on the structure, reactivity and spectroscopy of metal complexes, as investigated using both DFT and ab initio methods, with a particular emphasis on the elucidation of experimental data. The first results chapter. Chapter 3, describes the electronic structure and spectroscopy of [Zn(pyridine)₄]²⁺, as calculated using TDDFT, to aid the interpretation and assignment of the first recorded state-resolved gas-phase photofragmentation spectrum of a dicationic transition-metal complex.
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26

Campisi, Donna Barton Jacqueline K. "Transition metal complexes as probes of DNA sequence-dependent structure /." Diss., Pasadena, Calif. : California Institute of Technology, 1996. http://resolver.caltech.edu/CaltechETD:etd-09082006-114255.

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27

Hashiguchi, Ryota. "Studies on Polynuclear Metal Complexes and Low-Dimensional Mixed-Valence Halogen-Bridged Transition Metal Complexes Based on them." 京都大学 (Kyoto University), 2017. http://hdl.handle.net/2433/225426.

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28

Luedtke, Avery T. "Synthesis, structure, and reactivity of five-coordinate platinum(IV) complexes /." Thesis, Connect to this title online; UW restricted, 2007. http://hdl.handle.net/1773/11565.

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29

Lee, Taewoo. "Ultrafast time-resolved X-ray absorption spectroscopic studies of solvated transition metal complexes /." View online version; access limited to Brown University users, 2005. http://wwwlib.umi.com/dissertations/fullcit/3174637.

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30

Guo, Meiyuan. "Electronic structure investigations of transition metal complexes through X-ray spectroscopy." Doctoral thesis, Uppsala universitet, Teoretisk kemi, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-328072.

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Catalysts based on the first-row (3d) transition metals are commonly seen in chemical and biological reactions. To understand the role of the transition metal in the catalyst, the element specific technique core level spectroscopy is used to probe the electronic structure and geometric properties centered around the metal site. Different types of X-ray spectra can be applied to probe the metal 3d character orbitals involved in reactions, which make it possible to identify and characterize the reactive sites of samples in different forms. A detailed interpretation and understanding of the diffe
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31

Higgitt, Catherine L. "NMR studies of arene transition metal complexes : structure, dynamics and reactivity." Thesis, University of York, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.298537.

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32

Ghaffar, Tallit. "Synthesis, structure and catalytic activity of some platinum group metal complexes." Thesis, King's College London (University of London), 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.281709.

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33

Hemming, Oliver. "Structure and reactivity of low-coordinate first-row transition metal complexes." Thesis, University of Manchester, 2018. https://www.research.manchester.ac.uk/portal/en/theses/structure-and-reactivity-of-lowcoordinate-firstrow-transition-metal-complexes(a7879b58-897e-4080-99f6-8551511a503a).html.

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Earth-abundant first-row transition metals have seen a renaissance in chemistry in recent years due to their relatively low toxicity and cost in comparison to precious metals. Furthermore open-shell transition metal complexes exhibit useful one-electron redox processes which contrasts to their heavier d block anologues. This thesis aims to synthesize and analyse the structure and reactivity of low-coordiante first-row transition metal complexes of from groups 7-9 with an aim to utilize these species in catalysis. The divalent compound [Co{N(SiMe3)2}2] reacts with the primary phosphines PhPH2 i
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34

Meijide, Suárez Jorge. "Confinement of metal complexes in NHC-cyclodextrins : structure, electrochemistry and catalysis." Thesis, Sorbonne université, 2018. http://www.theses.fr/2018SORUS539.

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L'utilisation de métaux confinés dans des cavité est un outil intéressant dans le domaine de la catalyse en milieu confiné. Grâce à la forme conique des cyclodextrines (CD), la synthèse des NHC-pontées dérivés (ICyD) a été étudié. L’étude commence par la synthèse et la caractérisation de dérivés de Au(I) dans la cavité de la y-ICyD. Au cours de la synthèse, la formation d'un complexe AuCl3 plan carré (y-ICyD) a été observée. Celui-ci a conduit à la synthèse de complexes Au(III), Pd(II) et Pt(0) complexés par les ⍺-, β- et γ-CDs. Les structures 3D des complexes ont pu être modélisées grâce à l’
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35

Fujita, Kenichi. "Synthesis, Structure, and Reactivity of Novel Group 8 Transition Metal Complexes." Kyoto University, 1997. http://hdl.handle.net/2433/202318.

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Kyoto University (京都大学)<br>0048<br>新制・課程博士<br>博士(工学)<br>甲第6878号<br>工博第1629号<br>新制||工||1070(附属図書館)<br>15965<br>UT51-97-H262<br>京都大学大学院工学研究科物質エネルギー化学専攻<br>(主査)教授 光藤 武明, 教授 植村 榮, 教授 玉尾 皓平<br>学位規則第4条第1項該当
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36

Bérubé, Christian Denis. "Delving into the rare-earth metal chemistry of pyrrole-based ligands: Synthesis and analysis of divalent samarium and ytterbium pyrrolide complexes." Thesis, University of Ottawa (Canada), 2001. http://hdl.handle.net/10393/9097.

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The reaction of YbI2(THF)2 with diphenylmethyldipyrrolide leads to a complex reaction from which is obtained an octameric divalent Yb macrocycle (Diphenyldipyrromethanedi-yl-Yb)8 2.1 as a major product, but from which is also isolated a tetrameric cyclic Yb(II)-oxo complex [(diphenyldipyrrolyl-methanedi-yl)Yb]4[(K2)(THF) 6](mu-O)&bull;2(THF) 2.2&bull;2(THF) and a monomeric Yb(III) complex, Yb(diphenyldipyrrolylmethane-di-yl)3(K 3THF3) 2.3, as minor products. Complex 2.1 is analogous to the Sm(II) dipyrrolide octameric clusters obtained under an argon atmosphere, which are thought to represent
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37

Clayton, Thomas Willets. "The correlation of structure, reactivity and physical properties with electronic structure in transition metal complexes /." The Ohio State University, 1989. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487671108308527.

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38

Durivage, Jason Curtis. "Ligand Effects on Metal-Metal Bonding: Photoelectron Spectroscopy and Electronic Structure Calculations of Dimetal Paddlewheel Complexes." Diss., The University of Arizona, 2011. http://hdl.handle.net/10150/145427.

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Paddlewheel complexes are molecules in which two interacting metal atoms are bridged by four chelating ligands. This class of complexes has a large range of electronic variability while keeping a rigid geometric structure. This variability has led to their use as catalysts, strong reductants, anti-tumor agents, and electron transfer agents. This dissertation examines the effects of changing both the dimetal core and the surrounding ligands on the electronic structure properties of the paddlewheel complexes. Examination of Bi₂(O₂CCF₃)₄, a p-orbital dimetal paddlewheel complex, provided a way to
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39

Kristofzski, John Gregory. "Ionization-structure relationships of thin film and gas phase group VI metal-metal quadruple-bonded complexes." Diss., The University of Arizona, 1988. http://hdl.handle.net/10150/184384.

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Principles involving the electronic structure of group VI metal-metal multiple bonded complexes are examined in order to provide insights into the intramolecular and intermolecular interactions of these systems. Examination of chromium, molybdenum and tungsten tetracarboxylate thin films by ultraviolet photoelectron spectroscopy has provided the first experimental evidence for the location of the σ ionization in dimolybdenum tetracarboxylate quadruple bonded complexes. These compounds have significant intermolecular interactions as thin films which destabilizes ionization of the valence σ stat
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40

Ramnauth, Ramkrishna. "Transition metal imido schiff base complexes : synthesis, structure, redox and catalytic chemistry." Thesis, Queen Mary, University of London, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.404705.

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41

Parkin, Christopher James. "The structure and co-ordination chemistry of group 2 metal salicylate complexes." Thesis, University of Hull, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.417162.

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42

Buda, Corneliu. "De novo prediction of the ground state structure of transition metal complexes." Thesis, University of North Texas, 2004. https://digital.library.unt.edu/ark:/67531/metadc4669/.

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One of the main goals of computational methods is to identify reasonable geometries for target materials. Organometallic complexes have been investigated in this dissertation research, entailing a significant challenge based on transition metal diversity and the associated complexity of the ligands. A large variety of theoretical methods have been employed to determine ground state geometries of organometallic species. An impressive number of transition metals entailing diverse isomers (e.g., geometric, spin, structural and coordination), different coordination numbers, oxidation states and va
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43

Hoppe, Martin Louis. "Characterization of the electronic structure of complexes containing metal-heteroatom multiple bonds." Diss., The University of Arizona, 1988. http://hdl.handle.net/10150/184616.

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The electronic structure of a variety of metal-heteroatom multiply bonded complexes, including some active alkyne metathesis catalysts, have been investigated using He(I) and He(II) ultraviolet photoelectron spectroscopy (UPS), X-ray photoelectron spectroscopy (XPS) and Fenske-Hall molecular orbital calculations. Utilizing this electronic structure information, confirmation of the proposed mechanism for the alkyne metathesis reaction which involves formation of a metallacyclobutdienyl intermediate was ascertained. Also, the important relationships between metallatetrahedral and metallacyclobut
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44

Constantinou, Maria. "Syntheses, structure and stability of some alkylphosphonic acids and their metal complexes." Thesis, London Metropolitan University, 1994. http://repository.londonmet.ac.uk/2972/.

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The protonation end complexetion behaviour of the a-aminomethylenephosphonic acids diethylaminomethylenephonosphonic acid (DEAMPH2), N-ethyliminobis(methylenephosphonic acid) (NEIBMPH4), (+-)-trans-l,2-diaminecyclohexane tetrakis(methylenephosphonic acid) (CDTMPN8) and 5,8-dioxadodecane-1,12-diaminetetrakis(methylenephosphonic acid) (DDDTMPH8) were studied by potentiometry and near spectroscopy.
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45

Maishal, T. K. "Synthesis, structure and reactivity of metal-carbene complexes derived from transition metals." Thesis(Ph.D.), CSIR-National Chemical Laboratory, Pune, 2004. http://dspace.ncl.res.in:8080/xmlui/handle/20.500.12252/2893.

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46

Chen, Vanessa Wen Hsing. "Magnetic and structural studies of amine inclusion complexes of metal oxyhalides." Thesis, University College London (University of London), 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.314370.

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47

Venter, Gerhard (Gerhard Abraham). "An Ab Initio density functional study of the structure and stability of transition metal ozone complexes." Thesis, Stellenbosch : Stellenbosch University, 2002. http://hdl.handle.net/10019.1/52650.

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Thesis (MSc)--Stellenbosch University, 2002.<br>ENGLISH ABSTRACT: A thorough search through the literature as well as through the Cambridge Crystallographic Structural Database resulted in no examples of a neutral ozone acting as ligand in a complex with any metal. Ionic compounds containing ozonide as anionic species, however, are well known throughout the literature and not surprisingly the only result for 0₃ and a metal in the CCSD was an ionic rubidium ozonide compound. What follows is a systematic study into the result of placing an ozone ligand within complexing distance of a tran
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48

Ujaque, Pérez Gregori. "Molecular modelling of transition metal complexes with QM/MM methods. Structure and reactivity." Doctoral thesis, Universitat Autònoma de Barcelona, 1999. http://hdl.handle.net/10803/3259.

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El trabajo presentado en esta tesis consiste principalmente en la aplicación del método IMOMM (un método que combina la mecánica cuántica y la mecánica molecular) al estudio de sistemas químicos donde se ven involucrados complejos de metales de transición. Por un lado se han realizado estudios de tipo estructural, en los cuales se analizan las causas de la interacciones agósticas que se encuentran en el complejo Ir(H)2(P(t-Bu)2Ph)2 y en la familia de complejos Mo(COR)S-S)(CO)(PR3)2, y también se analizan la causas de las distorsiones geométricas que presentan en una serie de complejos de Ir pe
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49

Lawton, Lorreta. "Structure property relationships in Prussian Blue analogues and hydrogen bond mediated metal complexes." Thesis, University of Glasgow, 2011. http://theses.gla.ac.uk/2426/.

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Within this work the effects of metal identity are investigated on the magnetic properties of a range of materials, in which different transition metals are shown to produce significantly different calculated magnetic coupling values when incorporated into the same structure. The model structures composed of transition metals mediated by hydrogen halide ligands of the form FHF-, ClHCl- and FHCl- enable the calculation of magnetic coupling values via hydrogen bonds (HBs), providing insight into a scarcely studied topic. The employment of the well known HF=35% functional, provides results antici
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50

Hsu, Chen-Yen, and 徐誠延. "Synthesis and Structures of Divalent Metal Complexes Containing Urea Ligand." Thesis, 2008. http://ndltd.ncl.edu.tw/handle/32566848186170895383.

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碩士<br>中原大學<br>化學研究所<br>96<br>A series of compounds containing the urea ligands N,N'-dicyclohexyl -N-isonicotinoylurea, DCIU, and N,N'-dicyclohexyl-N-nicotinoylurea, DCNU, have been synthesized, and their structures characterized by single crystal X-ray crystallography.   The reactions of DCIU with transition metal salts of Co(II) and Cu(II) afforded CoBr2(DCIU)2(C2H5OH)2, 1, and CuCl2(DCIU)2, 2, and [Cu(DCIU)4(H2O)](ClO4)2, 3, CoI2(DCNU)2, 6, {[Cu(DCIU)2(H2O)2](NO3)2}n, 7, while the reactions of DCNU with transition metal halide complexes afforded CuCl2(DCNU)2, 4, and CuBr2(DCNU)2, 5. The neut
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