Relevant bibliographies by topics / Haptotropy

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Academic literature on the topic 'Haptotropy'

Author: Grafiati
Published: 4 June 2021
Last updated: 7 February 2022

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Journal articles on the topic "Haptotropy"

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Yarmolenko, A. I., S. V. Kukharenko, L. N. Novikova, and V. V. Strelets. "Redox-induced ?5 ? ?3 haptotropy of the fluorenyl ligand in 9-substituted ?5-fluorenylmanganesetricarbonyl complexes." Russian Chemical Bulletin 44, no. 7 (1995): 1300–1305. http://dx.doi.org/10.1007/bf00700908.

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Zhulyaev, N. S., I. P. Gloriozov, M. S. Nechaev, F. Gam, Yu F. Oprunenko, and J. Y. Saillard. "Organometallic chemistry of new carbon materials. Structure and dynamic behavior of group 6 metal tricabonyl complexes of graphene and perforated graphene: a DFT study." New Journal of Chemistry 43, no. 46 (2019): 17991–8002. http://dx.doi.org/10.1039/c9nj02187f.

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McGlinchey, Michael J. "2000 Alcan Award Lecture Adventures in organometallic NMR: steric restraints, slowed rotations, and skeletal rearrangements." Canadian Journal of Chemistry 79, no. 9 (2001): 1295–309. http://dx.doi.org/10.1139/v01-117.

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The structures and NMR fluxionality of a wide variety of organometallic complexes (including tetrahedral cluster cations and systems of the type (CnRn)ML3, where R = Et, Ph) are discussed. Barriers to tripodal and peripheral substituent rotations are reported, and the relevance of correlated rotations to molecular machines is outlined. Haptotropic shifts in (cyclopenta[def]phenanthrenyl)MLn and (cyclopenta[l]phenanthrenyl)MLn complexes are rationalized in terms of the aromatic character of the transition states. Likewise, the barriers to silatropic shifts in polyindenylsilanes can be correlated with the aromaticity of the intermediate isoindenes. Finally, the use of cobalt clusters to control cyclohexane ring conformations is described.Key words: NMR ring currents, fluxionality, correlated rotations, molecular rearrangements, haptotropic shifts.
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Royal, Titouan, та Olivier Baudoin. "Pd-catalyzed γ-arylation of γ,δ-unsaturated O-carbamates via an unusual haptotropic rearrangement". Chemical Science 10, № 8 (2019): 2331–35. http://dx.doi.org/10.1039/c8sc05058a.

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Rioja, Matias, Paul Hamon, Thierry Roisnel та ін. "[(η5-C5Me5)Ru]+ fragments ligated to polyaromatic hydrocarbons: an experimental and computational approach to pathways for haptotropic migration". Dalton Transactions 44, № 1 (2015): 316–29. http://dx.doi.org/10.1039/c4dt02736a.

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DFT calculations indicated rather high activation energies for the thermally induced intramolecular inter-ring haptotropic migration of the [(η<sup>5</sup>-C<sub>5</sub>Me<sub>5</sub>)Ru<sup>+</sup>] moiety.
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Morita, Noboru, Toyonobu Asao, Akio Tajiri, Hideo Sotokawa, and Masahiro Hatano. "Haptotropic rearrangement of tricarbonyl(2-acyloxytropone)iron." Tetrahedron Letters 27, no. 33 (1986): 3873–76. http://dx.doi.org/10.1016/s0040-4039(00)83903-9.

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Kirss, Rein U., and Paul M. Treichel. "Haptotropic rearrangements in naphthalene-chromium tricarbonyl complexes." Journal of the American Chemical Society 108, no. 4 (1986): 853–55. http://dx.doi.org/10.1021/ja00264a057.

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Suzuki, Noriyuki, Daisuke Hashizume, Hajime Yoshida, et al. "Reversible Haptotropic Shift in Zirconocene−Hexapentaene Complexes." Journal of the American Chemical Society 131, no. 6 (2009): 2050–51. http://dx.doi.org/10.1021/ja8077472.

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GRIDNEV, I. "Sigmatropic and haptotropic rearrangements in organometallic chemistry." Coordination Chemistry Reviews 252, no. 15-17 (2008): 1798–818. http://dx.doi.org/10.1016/j.ccr.2007.10.021.

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Pye, Cory C., and Raymond A. Poirier. "An ab initio study of 1,5-suprafacial shifts in 5-substituted 1,3-cyclopentadienes." Canadian Journal of Chemistry 83, no. 9 (2005): 1299–305. http://dx.doi.org/10.1139/v05-141.

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A computational study of the degenerate 1,5-suprafacial migration of the 5-substituted cyclopentadienes is presented. The substituents considered are the Group 14–17 elements of the second through fifth periods, saturated by hydrogens as needed to fulfill normal valence requirements. The geometry of most transition states are remarkably similar in the carbon framework. The activation barrier to migration was shown to correlate well with a dimensionless "stretching" parameter, especially at the MP2 level.Key words: 5-substituted 1,3-cyclopentadiene, 1,2-haptotropic shift, 1,5-suprafacial shift, ab initio, transition states.
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Dissertations / Theses on the topic "Haptotropy"

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Sahnoune, Hiba. "Aspects structuraux et électroniques de systèmes conjugués organométalliques." Thesis, Rennes 1, 2013. http://www.theses.fr/2013REN1S075/document.

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Une étude théorique basée sur la théorie de la fonctionnelle de la densité (DFT) a été réalisée sur un ensemble de complexes organométalliques mono, di et trinucléaires à base de fer, de ruthénium ou de platine. Les résultats obtenus sur les complexes mononucléaires à base de fer révèlent que la longueur du chaînon π de carbone n'a qu'une influence mineure sur les propriétés électroniques mais affectent les propriétés spectroscopiques. Une étude entreprise sur des systèmes contenant un ligand aromatique polycyclique a montré que la présence de molécules de solvant coordonnant abaisse les barrières énergétiques et par conséquence, facilite le réarrangement haptotropique du greffon organoruthénium sur le ligand organique. L'étude théorique réalisée sur des nouveaux systèmes de type [2]rotaxane a révélé que la longueur du chaînon π du fil moléculaire enfilé au travers d'un macrocycle influence les énergies d'interaction non covalente dans ces systèmes. Il a été montré que ces interactions non covalentes sont principalement dues à des liaisons hydrogène formées entre le macrocycle et le fil moléculaire<br>A theoretical study based on density functional theory (DFT) was performed on several series of organometallic mono, bi and trinuclear iron, ruthenium and platinum based complexes. The results on mononuclear iron based complexes indicate that the length of the π carbon bridge in these systems has only a minor influence on the electronic properties but affect somewhat the spectroscopic properties. A study was conducted on systems containing polycyclic aromatic ligand showing that the presence of a coordinating solvent molecule in the viscinity of the metal atom bound on top of the polycycle strongly lowers the energy barriers and consequently facilitates the haptotropic rearrangement of the grafted organoruthenium entity. The theoretical study of new systems of [2]rotaxane type has revealed that the length of the π bridge of the molecular wire threaded in a macrocycle influences the weak noncovalent interaction energies in these systems. It has been shown that these noncovalent interactions are mainly due to hydrogen bonds formed between the macrocycle and the threaded molecular wire
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Rigby, Suzie S. "Sigmatropic and haptotropic shifts in complexes of cyclopenta(l)phenanthrene." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk2/tape16/PQDD_0020/NQ30185.pdf.

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Jiménez, Halla José Óscar Carlos. "Theoretical study of catalytic reactions of carbenes: haptotropic rearrangements and the Dötz reaction." Doctoral thesis, Universitat de Girona, 2009. http://hdl.handle.net/10803/7942.

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En aquesta tesi s'han estudiat mecanismes de reaccions de cicloanulació en carbens de Fischer a través de mètodes teòrics, concretament fent servir el nivell de teoria B3LYP/(Wachters' basis / 6-31G**). Els alcoxi- i amino carbens de pentacarbonil crom, ja siguin vinílics o aromàtics, reaccionen amb acetilè per produir fenols, naftols o derivats ciclopentadiè o indè substituïts amb el Cr(CO)3 coordinat, d'una manera regioselectiva. L'objectiu d'aquest treball és discutir ambudes reaccions competitives particularment a la reacció de Dötz, la qual durant els darrers anys ha estat explorada experimentalment per W.D. Wulff, C.P. Casey, R. Aumann i J. Barluenga entre altres diferents propostes mecanístiques. A més K.H. Dötz va demostrar que la coordinació del Cr(CO)3, un cop l'anell ja està format, pot patir canvis haptotròpics, és a dir, la caminada del complex metàl·lic d'un anell a un altre -generalment almenys substituït- canviant la seva hapticitat (coordinació pi amb els membres de l'anell). Llavors, s'han estudiat les migracions haptotròpiques intramoleculars en petits hidrocarbons aromàtics policíclics amb l'objectiu d'analitzar les rutes de reacció per les quals aquestes reaccions es porten a terme
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Dubarle, Offner Julien. "Novel heterobimetallic manganese-chromium and rhenium-chromium complexes : coordination, cyclometallation, benzannulation and haptotropic metal migration." Paris 6, 2009. http://www.theses.fr/2009PA066040.

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Une propriété caractéristique des complexes formés par des métaux de transition et des ligands polycycliques aromatiques est leur capacité à se soumettre à des réarrangements haptotropiques ; le fragment métallique est considéré comme le groupe fonctionnel déplaçable qui migre entre deux cycles non-équivalents du ligand hydrocarboné. Nous avons décidé de coordiner d’autres métaux de transition aux complexes (polyarène)Cr(CO)3 afin d’étudier leurs différentes influences sur la migration du tricarbonylchrome. Dans ce contexte, les premiers complexes hétérobimétalliques syn et anti Cr(CO)3-Mn(CO)3 et Cr(CO)3-Re(CO)3 ont été synthétisés. De plus, la synthèse de nouveaux complexes du tricarbonylchrome avec un polyarène N-hétérocyclique a été étudiée, ainsi que leur équivalents cyclomanganatés. Dans toutes ces synthèses, la benzannulation [3+2+1] de carbène de Fischer portant une unité métallique additionnelle a été employée afin d’introduire l’atome de chrome sur le ligand. Les migrations haptotropiques thermiquement induites du chrome le long des plateformes aromatiques ont été exécutées sur tous les complexes et ont conduit dans la plupart des cas aux haptotropomères thermodynamiques souhaités. Les déplacements intramoléculaires du fragment chromique ont été confirmés avec des études cinétiques par RMN qui ont montré une cinétique de premier ordre. De plus, toutes les structures hétérobimétalliques ont été déterminées par des analyses cristallographiques.
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Hegele, Peter [Verfasser]. "Kontrollierte haptotrope Umlagerungen von Chrom-Aren-Komplexen mit erweiterten π-Systemen: Aromatische Systeme mit acyclischer π-Brücke und Polyzyklische kondensierte aromatische Systeme / Peter Hegele. Mathematisch-Naturwissenschaftliche Fakultät". Bonn : Universitäts- und Landesbibliothek Bonn, 2011. http://d-nb.info/1018829342/34.

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Rang, Carola Monika [Verfasser]. "Nicht symmetrische Graphenmoleküle mittels [3+2+1]-Benzanellierung und Untersuchungen von haptotropen Wanderungen auf Oberflächen / Carola Monika Rang. Mathematisch-Naturwissenschaftliche Fakultät der Uni Bonn." Bonn : Universitäts- und Landesbibliothek Bonn, 2010. http://d-nb.info/1000980901/34.

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Makhoul, Rim. "Dispositifs organométalliques moléculaires fonctionnels." Thesis, Rennes 1, 2014. http://www.theses.fr/2014REN1S137/document.

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La complexation de l'arénophile à un ligand naphtalène substitué sur un seul noyau par un ou deux groupe triméthylsilyléthynyle conduit à la formation des deux régio-isomères A (arénophile coordiné au cycle substitué) et B (arénophile lié au cycle libre). L'isomère A est le produit cinétique et l'isomère B le produit thermodynamique de la réaction. La substitution du groupe trimétylsilyle par le fragment organométallique électro-actif permet d'étudier l'isomérisation A B . La migration haptotropique électro-induite, réalisée à 20 °C, est quasi quantitative . Elle résulte de l'activation de la liaison Ru provoquée par l'oxydation mono-électronique du centre redox organofer en présence d'un solvant coordinant . La synthèse du complexe ortho disubstitué, stériquement très encombré, et de ses dérivés mono- et di-oxydés a été effectuée avec succès. L'espèce mono-oxydée qui possède un couplage électronique fort est un dérivé à valence mixte de classe II B, à la limite entre les classes II et III. Les complexes tétranucléaires ont également été synthétisés et caractérisés par différentes techniques incluant notamment la radiocristallographie. Ces composés présentent des interactions électroniques à la fois en ortho, meta et para, générant de nouvelles propriétés qui pourraient s'avérer totalement inédites dans le domaine de l'électronique moléculaire. Finalement, une nouvelle famille de composés hybrides organiques inorganiques trans- a aussi été préparée (TTF = tétrathiafulvalène; n = 0-3). Le dérivé mono-oxydé est un composé à valence mixte de classe II. Le transfert d'électron intramoléculaire peut se faire selon un mécanisme par effet tunnel et par un mécanisme multi-étape par sauts entre les centres redox inorganiques et organiques<br>The complexation of the arenophile to a naphthalene ligand bearing one or two trimethylsilylethynyle group gives the two regioisomers A (arenophile coordinated to the substituted ring) and B (arenophile coordinated to the free cycle). Isomer A is the kinetic product and isomer B is the thermodynamic product of the reaction. The substitution of the trimethylsilyl group by the electroactive organometallic fragment allows to control the isomerization from A to B. The electro induced haptotropic migration, performed at 20 ° C, is almost quantitative, and results from the activation of the Ru bond induced by the one-electron oxidation of the organoiron redox center in the presence of a coordinating solvent. The synthesis of the sterically constraint ortho disubstituted complex, and its mono and di-oxidized forms were successfully achieved. The mono-oxidized species that shows a strong electronic coupling is a Class-II B mixed valence compound. The tetranuclear complexes were also prepared and characterized by various methods including X-ray crystallography. These compounds exhibit electronic interactions in the ortho, meta and para positions, generating new properties that could be of great interest in the field of molecular electronics. Finally, a new family of organic-inorganic hybrids trans- has also been prepared (TTF = tetrathiafulvalene; n = 0-3). The mono-oxidized complex (n = 1) is a Class-II mixed-valence compound in which the spin density varies with the respective orientation of the metal termini. Intramolecular electron transfer occurs through single-step tunneling and multiple-step hopping mechanisms
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Shaw-Taberlet, Jennifer. "DISPOSITIFS MOLECULAIRES FONCTIONNELS A BASE ORGANOMETALLIQUE." Phd thesis, Université Rennes 1, 2006. http://tel.archives-ouvertes.fr/tel-00116762.

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Chapter 1.<br />1-Ethynyl-2-phenyltetramethyldisilanes HCºCSiMe2SiMe2C6H4-p-X [X = NMe2(1.1), Me (1.2), H (1.3), Br (1.4), CF3 (1.5)] are accessible from ClSiMe2SiMe2Cl, BrMgC6H4X and HCºCMgBr in a two step Grignard reaction. The crystal structure of 1.1 as determined by single crystal X-ray crystallography exhibits a nearly planar PhNMe2 moiety and an unusual gauche array of the phenyl and the acetylene group with respect to rotation around the Si-Si-bond. Full geometry optimization (B3LYP/6- 31+G**) of the gas phase structures of 1.1 and 1.3 affords minima for the gauche and the trans rotational isomers, both being very close in energy with a rotational barrier of only 3 – 5 kJ/mol. Experimental and calculated (time-dependent DFT B3LYP/TZVP) UV absorption data of 1.1 – 1.5 show pronounced electronic interactions of the HCºC- and the C6H4X p-systems with the central Si-Si bond.<br /><br />Chapter 2.<br />A family of [( 5-Cp*)Ru( 6-arene)]+ (Cp* = C5Me5) sandwich complexes of 1- and 1,4-substituted phenyl and naphthyl systems are described along with the regioselectivities of the reactions under various conditions. Finally, the (h 5-Cp*) Ru+ arenophile was found to act as a gate to the flow of electrons between para-substituted termini. When it is complexed onto the phenyl or A naphthyl ring, the gate is closed. On the contrary, when it is complexed onto the B naphthyl ring, the gate is open.<br /><br />Chapter 3.<br />Regioselective complexation reactions of the organoiron acetylide derivatives (h 2- dppe)(h 5-Cp*)Fe-C C-Ar (Ar = phenyl, 1-naphthyl; dppe = 1,2- bis(diphenylphosphino)ethane) with [(h 5-Cp*Ru(CH3CN)3][PF6] to afford heterobimetallic complexes formulated as [(h 2-dppe)(h 5-Cp*)Fe-C C-{(h 6-Ar)Ru(h 5- Cp*)}][PF6], were achieved. In the case of the FeII-RuII 1-naphthyl derivative, the (h 5-Cp*)Ru+ arenophile was complexed both onto the substituted ring and free rings of the acetylide 1-naphthyl linker. The first redox-driven h 6-h 6 inter-ring haptotropic migration of the (h 5-Cp*)Ru+ moeity was shown to occur. Crystal structures of all of the seven new iron acetylenes were resolved, including both haptotropomers of the naphthyl compound.<br /><br />Chapter 4.<br />The diorganoiron [{(h2-dpppe)(h5-Cp*)Fe-CC-}2(1,4-naphthyl)] (4.12) was synthesized in good yield in two steps via the vinylidene, and oxidation led to the mixed valence (MV) and iron(III)-iron(III) species in good to excellent yields. This exhaustive empirical study on the family of complexes 4.12[PF6]n (n = 0,1,2) includes a crystal structure for the case in which n = 2. This work clearly establishes good electronic and magnetic communication between the iron centers across the bis(ethynyl)naphthalene bridge. All empirical measurements of these naphthyl compounds reveal that their properties fall between those of known phenyl and anthracenyl derivatives. In some cases, the naphthyl derivative behaves as an average of the phenyl and anthracenyl complexes. For example, the comproportionation constant of the naphthyl species falls at the midpoint between those for the phenyl and anthracenyl compounds. The same is true for the UV absorption maxima in all three oxidation states (Fe[II]- Fe[II], MV, and Fe[III]- Fe[III]). The large electronic (2043 cm-1) and magnetic (-526 cm-1) coupling constants were determined via NIR spectroscopy and SQUID magnetometry, respectively. As for the heterotrinuclear species, the iron(II) acetylene, 4.14B[PF6] [{Cp*(dppe)Fe-C C}2-(h 6 – [1,4-napthyl])RuCp*](PF6), [Cp* = h 5 - C5Me5; Fe = FeII] was prepared in high yields with an adapted, regioselective synthesis via the trinuclear vinylidene. Complete characterization, including a crystal structure, of this sandwich complex reveals that the arenophile perturbs the organoiron ligand more in the bis(iron) than in the previously reported mono(iron) case.
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Joistgen, Oliver [Verfasser]. "Kontrollierte haptotrope Metallumlagerungen von Chrom-Aren-Komplexen mit polycyclischen aromatischen Liganden / vorgelegt von Oliver Joistgen." 2010. http://d-nb.info/101151169X/34.

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Breitbach, Daisy [Verfasser]. "Naphthalen-Chrom-Komplexe mit hemilabilen und potentiellen Phosphan-Chelatliganden: Synthese und haptotrope Metallwanderung / vorgelegt von Daisy Breitbach." 2009. http://d-nb.info/998939811/34.

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Books on the topic "Haptotropy"

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McKenna, Jennifer. Spectroscopic studies of thermally activated C-F bonds and photochemically induced haptotropic shifts of pi-coordinated aromatic ligand systems. 2003.

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Book chapters on the topic "Haptotropy"

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Dötz, Karl H., Benjamin Wenzel, and Holger C. Jahr. "Chromium-Templated Benzannulation and Haptotropic Metal Migration." In Templates in Chemistry I. Springer Berlin Heidelberg, 2005. http://dx.doi.org/10.1007/b99910.

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