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Relevant bibliographies by topics / Tautomerism

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Academic literature on the topic 'Tautomerism'

Author: Grafiati

Published: 4 June 2021

Last updated: 25 July 2025

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Journal articles on the topic "Tautomerism"

1

Mirkovic, Jelena, Gordana Uscumlic, Aleksandar Marinkovic, and Dusan Mijin. "Azo-hydrazone tautomerism of aryl azo pyridone dyes." Chemical Industry 67, no. 1 (2013): 1–15. http://dx.doi.org/10.2298/hemind120309053m.

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In the last three or four decades disperse dyes derived from pyridones (in particular azo pyridone dyes) have gained in importance, and are widely used in various fields. These compounds have excellent coloration properties, and are suitable for the dyeing of polyester fabrics. Basic features of these dyes are simplicity of their synthesis by diazotation and azo coupling. They generally have high molar extinction coefficient with medium to high light and wet fastness. The absorption maxima of these dyes show their visible absorption wavelength ranging from yellow to orange, which can be attrib

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2

Hansen, Poul Erik. "Tautomerism of β-Diketones and β-Thioxoketones". Encyclopedia 3, № 1 (2023): 182–201. http://dx.doi.org/10.3390/encyclopedia3010013.

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The present overview concentrates on recent developments of tautomerism of β-diketones and β-thioxoketones, both in solution and in the solid state. In particular, the latter has been a matter of debate and unresolved problems. Measurements of 13C, 17O, and 2H chemical shifts have been used. Deuterium isotope effects on chemical shifts are proposed as a tool in the study of this problem. Photoconversion of β-diketones and β-thioxoketones are discussed in detail, and the incorporation of β-diketones into molecules with fluorescent properties is assessed. Finally, docking studies of β-diketones

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Raczyńska, Ewa Daniela, Jean-François Gal, and Pierre-Charles Maria. "Potential Push-Pull Carbon Superbases Based on Methyl Substitution of Rare Tautomers of Imines." Molecules 30, no. 3 (2025): 474. https://doi.org/10.3390/molecules30030474.

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Push-pull imines with strong electron donor group(s) display exceptional basicity in the gas phase. Most of them do not exhibit prototropic tautomerism, and gas-phase acid-base equilibria have been already well described and reviewed. Some questions remain for tautomeric systems, particularly for their uncommon forms. As shown by quantum-chemical calculations, some often-neglected tautomers display higher basicity than the thermodynamically favored forms. However, their participation in tautomeric mixtures being in equilibrium is negligible, and their basicity can be impossible to measure in t

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Oziminski, Wojciech P., and Agata Wójtowicz. "New theoretical insights on tautomerism of hyperforin—a prenylated phloroglucinol derivative which may be responsible for St. John’s wort ( Hypericum perforatum ) antidepressant activity." Structural Chemistry 31, no. 2 (2019): 657–66. http://dx.doi.org/10.1007/s11224-019-01434-6.

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AbstractThe thermodynamic aspects of keto-enol tautomerism of hyperforin were investigated theoretically using density functional theory methods. At the B3LYP/aug-cc-pVTZ//B3LYP/aug-cc-pVDZ level of theory the enol tautomer dominates the tautomeric mixture and the second enol tautomer 1OH-HB has Gibbs free energy higher by 1.2 kcal/mol, despite possessing an intramolecular hydrogen bond. The purely keto tautomer is less stable by 3.3 kcal/mol compared with the 1OH tautomer, which means that the percentage of the keto tautomer in the tautomeric mixture is only about 0.4%. This is a different pi

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Fabian, Walter M. F. "Tautomerism in Five-membered Nitrogen Heterocycles. A Test of the Reliability of Semiempirical (AMI, PM3, MNDO) Quantum Chemical Methods." Zeitschrift für Naturforschung A 45, no. 11-12 (1990): 1328–34. http://dx.doi.org/10.1515/zna-1990-11-1216.

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AbstractThe reliability of three popular semiempirical quantum chemical methods (AM1, PM3, MNDO) for the treatment of tautomeric equilibria is tested in a series of five-membered nitrogen heterocycles. The known flaw of MNDO to overestimate the stability of compounds with two or more adjacent pyridine-like lone pairs is also present in AM1 and to a somewhat lesser extent in PM3. Tautomeric species differing in the number of adjacent pyridine-like lone pairs, thus, cannot be adequately treated by these semiempirical methods. Both AM1 as well as PM3, however, represent major improvements over MN

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Raczyńska, Ewa Daniela, Pierre-Charles Maria, and Jean-François Gal. "Quantum Chemical Studies on the Prototropic and Acid/Base Equilibria for 2-Aminopyrrole in Vacuo—Role of CH Tautomers in the Design of Strong Brønsted Imino N-Bases." Molecules 30, no. 10 (2025): 2112. https://doi.org/10.3390/molecules30102112.

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In the quest of the pivotal origin of the very strong gas-phase proton basicity for some iminopyrrole derivatives, proposed in the literature on the basis of quantum chemical calculations, the full tautomeric and acid/base equilibria were investigated in vacuo for 2-aminopyrrole exhibiting enamino–imino tautomerism. Thermochemistry of these processes investigated at the Density Functional Theory (DFT) level indicates a lower stability for the imino than for the enamino tautomers. However, the imino N atom in the imino forms displays an exceptionally high basicity, particularly in the minor and

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7

Allegretti, P. E., C. B. Milazzo, and J. J. P. Furlong. "Mass Spectrometry as a Tool for the Determination of Heats of Tautomerization of Thioamides in the Gas Phase." European Journal of Mass Spectrometry 11, no. 1 (2005): 53–63. http://dx.doi.org/10.1255/ejms.691.

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Tautomerism of several thioamides was studied by mass spectrometry. The analysis of the corresponding mass spectra allowed some fragmentations to be assigned to specific tautomers and heats of tautomerization to be determined through temperature effects and electron energy studies. Experimental determinations were strongly supported by theoretical calculations. AM1 semi-empirical results indicate that the thioamide–thioimidol equilibrium can be studied by mass spectrometry. Also, additional evidence was obtained regarding tautomerism occurrence between neutral species.

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8

Stoyanov, Stefan, Ivan Petkov, Liudmil Antonov, Tatyana Stoyanova, Petros Karagiannidis, and Paraskevas Aslanidis. "Thione–thiol tautomerism and stability of 2- and 4-mercaptopyridines and 2-mercaptopyrimidines." Canadian Journal of Chemistry 68, no. 9 (1990): 1482–89. http://dx.doi.org/10.1139/v90-227.

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The possible thione–thiol tautomerism of 2- and 4-mercaptopyridines, 2-mercaptopyrimidine, and 4,6-dimethyl-2-mercaptopyrimidine in solution is studied by means of absorption (UV–VIS) spectroscopy. In accordance with earlier observations, polar solvents and self-association shift the apparent tautomeric equilibrium significantly towards the thione form. In dilute solutions of nonpolar solvents the thiol form predominates. On standing, significant changes are observed in the absorption spectra of these tautomeric compounds in ethanol, dioxane, and water. The time course of the tautomerization,

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9

Zaharieva, Lidia, Vera Deneva, Fadhil S. Kamounah, et al. "Tautomerism and switching in 7-hydroxy-8-(azophenyl)quinoline and similar compounds." Beilstein Journal of Organic Chemistry 21 (July 10, 2025): 1404–21. https://doi.org/10.3762/bjoc.21.105.

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Tautomerism in two new azo dyes, based on 7-hydroxyquinoline, has been considered from the viewpoint of the proton crane concept. Although 8-(phenyldiazenyl)quinolin-7-ol exists in solution as a mixture of azo and two hydrazone tautomers, as shown by the experimental and theoretical results, upon irradiation switching, based on long-range proton transfer, occurs in a limited extent. 8-(4-Hydroxy-1,2,3,5-tetrafluorophenyldiazenyl)quinolin-7-ol exists as a single enol (azo) tautomer and the reduced basicity of the azo group nitrogen atoms does not allow shift of the tautomeric state neither upon

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10

Sun, Chun-Lin, Xiao-E. Luo, Huan Xu та ін. "Aromaticity and tautomerism of a 4n π electron dihydrohexaazapentacene". Organic Chemistry Frontiers 7, № 2 (2020): 405–13. http://dx.doi.org/10.1039/c9qo01285k.

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We report herein the intriguing tautomerism behaviors of new dihydrohexaazapentacene derivatives. The dihydrohexaazapentacene molecules with 4n π electrons exist as two stable tautomers in solution and exhibits globe aromaticity.

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Dissertations / Theses on the topic "Tautomerism"

1

Loghmani-Khouzani, Hossein. "Investigations of tautomerism in 2- and 4- ketomethylquinolines." Thesis, University of Bradford, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.281216.

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Kazantsev, Andriy [Verfasser]. "Nucleobase tautomerism in codon-anticodon decoding / Andriy Kazantsev." Hamburg : Staats- und Universitätsbibliothek Hamburg Carl von Ossietzky, 2020. http://d-nb.info/1236695275/34.

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郭富超 and Fu-chiu Kwok. "A systematic study of heterocyclic keto-enol tautomerism and the observation of mechanistic change in the hydrolysis of someheterocyclic vinyl ethers." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 1987. http://hub.hku.hk/bib/B31230908.

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Kwok, Fu-chiu. "A systematic study of heterocyclic keto-enol tautomerism and the observation of mechanistic change in the hydrolysis of some heterocyclic vinyl ethers /." [Hong Kong : University of Hong Kong], 1987. http://sunzi.lib.hku.hk/hkuto/record.jsp?B1234560X.

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5

Lamont, R. Brian. "Studies of ring-chain tautomerism and molecular conformation by X-ray crystallography." Thesis, Queen's University Belfast, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.335988.

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6

Moosavi, Mehr Seyed Hessam. "Novel structures and unusual reactivity powered by tautomerism and electron delocalization in salicylimines." Thesis, University of British Columbia, 2017. http://hdl.handle.net/2429/62701.

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Hare, Patrick Michael. "Excited state dynamics in DNA base monomers the effects of solvent and chemical modification on ultrafast internal conversion /." Columbus, Ohio : Ohio State University, 2007. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1166623261.

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8

McGeorge, Gary. "NMR studies of solid nitrogen-containing dyestuffs." Thesis, Durham University, 1996. http://etheses.dur.ac.uk/5197/.

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This thesis is concerned with the structural analysis of dyestuffs in their natural solid state by the application of solid-state nuclear magnetic resonance. These dysetuffs are all derived from the phenylazobenzene group, but tautomerism can produce structural changes, which have so far been uncharacterised in the solid-state for many of the dyestuffs currently under investigation. The information obtainable from (^13)C and (^15)N chemical shifts, both isotropic and anisotropic will be applied in this structure determination. Under magic-angle spinning the anisotropic nature of solid-state in

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9

Moustras, Marios Zacharias. "Imine formation relating to cross-linking in cellular macromolecules." Thesis, University of Exeter, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.260620.

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10

Shibl, Mohamed F. "Mechanisms of double proton tautomerization & quantum control of tautomerism in enantiomers by light." kostenfrei, 2006. http://www.diss.fu-berlin.de/2006/622/index.html.

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Books on the topic "Tautomerism"

1

Antonov, Liudmil, ed. Tautomerism. Wiley-VCH Verlag GmbH & Co. KGaA, 2016. http://dx.doi.org/10.1002/9783527695713.

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Antonov, Liudmil, ed. Tautomerism. Wiley-VCH Verlag GmbH & Co. KGaA, 2013. http://dx.doi.org/10.1002/9783527658824.

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3

Valters, Raimonds E., and Wilhelm Flitsch. Ring-Chain Tautomerism. Edited by Alan R. Katritzky. Springer US, 1985. http://dx.doi.org/10.1007/978-1-4684-4883-2.

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Wilhelm, Flitsch, and Katritzky Alan R, eds. Ring-chain tautomerism. Plenum Press, 1985.

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Valters, Raimonds E. Ring-chain tautomerism. Plenum, 1985.

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6

Canada, Royal Society of, ed. The tautomerism of oxymethylene and formyl compounds. s.n.], 1986.

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7

Walsh, Sinead M. The tautomerisation and isomerisation of [alpha]-heterocyclic ketones. University College Dublin, 1998.

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8

Minkin, V. I., L. P. Olekhnovich, and Yu A. Zhdanov, eds. Molecular Design of Tautomeric Compounds. Springer Netherlands, 1988. http://dx.doi.org/10.1007/978-94-009-1429-2.

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9

Petrovich, Olekhnovich Lev, and Zhdanov I͡U︡ A, eds. Molecular design of tautomeric compounds. D. Reidel Pub. Co., 1988.

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10

Güven, Alâettin. Potentially tautomeric pyridazino (4,5-b) indolones. University of East Anglia, 1992.

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Book chapters on the topic "Tautomerism"

1

Elguero, José. "Tautomerism: A Historical Perspective." In Tautomerism. Wiley-VCH Verlag GmbH & Co. KGaA, 2016. http://dx.doi.org/10.1002/9783527695713.ch1.

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2

Dubonosov, Alexander D., Vladimir A. Bren, and Vladimir I. Minkin. "Enolimine-Ketoenamine Tautomerism for Chemosensing." In Tautomerism. Wiley-VCH Verlag GmbH & Co. KGaA, 2016. http://dx.doi.org/10.1002/9783527695713.ch10.

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3

Garcia-Amorós, Jaume, and Dolores Velasco. "Tautomerizable Azophenol Dyes: Cornerstones for Advanced Light-Responsive Materials." In Tautomerism. Wiley-VCH Verlag GmbH & Co. KGaA, 2016. http://dx.doi.org/10.1002/9783527695713.ch11.

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4

Nedeltcheva-Antonova, Daniela, and Liudmil Antonov. "Controlled Tautomerism: Is It Possible?" In Tautomerism. Wiley-VCH Verlag GmbH & Co. KGaA, 2016. http://dx.doi.org/10.1002/9783527695713.ch12.

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5

Užarević, Krunoslav, Vladimir Stilinović, and Mirta Rubčić. "Supramolecular Control over Tautomerism in Organic Solids." In Tautomerism. Wiley-VCH Verlag GmbH & Co. KGaA, 2016. http://dx.doi.org/10.1002/9783527695713.ch13.

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6

Limbach, Hans-Heinrich, Gleb S. Denisov, Ilya G. Shenderovich, and Peter M. Tolstoy. "Proton Tautomerism in Systems of Increasing Complexity: Examples from Organic Molecules to Enzymes." In Tautomerism. Wiley-VCH Verlag GmbH & Co. KGaA, 2016. http://dx.doi.org/10.1002/9783527695713.ch14.

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7

Taylor, Peter J., and Liudmil Antonov. "“Triage” for Tautomers: The Choice between Experiment and Computation." In Tautomerism. Wiley-VCH Verlag GmbH & Co. KGaA, 2016. http://dx.doi.org/10.1002/9783527695713.ch2.

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8

Hansen, Poul Erik. "Methods to Distinguish Tautomeric Cases from Static Ones." In Tautomerism. Wiley-VCH Verlag GmbH & Co. KGaA, 2016. http://dx.doi.org/10.1002/9783527695713.ch3.

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9

Bally, Thomas. "Electron-Transfer-Induced Tautomerizations." In Tautomerism. Wiley-VCH Verlag GmbH & Co. KGaA, 2016. http://dx.doi.org/10.1002/9783527695713.ch4.

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Taylor, Peter J., and Liudmil Antonov. "The Fault Line in Prototropic Tautomerism." In Tautomerism. Wiley-VCH Verlag GmbH & Co. KGaA, 2016. http://dx.doi.org/10.1002/9783527695713.ch5.

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Conference papers on the topic "Tautomerism"

1

Pierre, Max, Mikael Unge, Claire Pitois, and Mikael S. Hedenqvist. "Trapping Activated Tautomerism of Acetophenone in Polyethylene." In 2024 IEEE 5th International Conference on Dielectrics (ICD). IEEE, 2024. http://dx.doi.org/10.1109/icd59037.2024.10613050.

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2

Albuquerque, Ana Carolina Ferreira de, José Walkimar de Mesquita Carneiro, and Fernando Martins dos Santos Junior. "Estudo do tautomerismo ceto-enólico da 7-epi-clusianona através de cálculos teóricos de deslocamentos químicos de RMN." In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol202063.

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The properties of natural products, including their biological and pharmacological activities, are directly correlated with their chemical structures. Thus, a correct structural characterization of these compounds is a crucial step to the understanding of their biological activities. However, despite the recent advances in spectroscopic techniques, structural studies of natural products can be challenging. This way, theoretical calculations of Nuclear Magnetic Resonance (NMR) parameters (such as chemical shifts and coupling constants) have proven to be a powerful and low-cost tool for the aid

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3

Baryshnikov, G. V., B. F. Minaev, and V. A. Minaeva. "Theoretical study of methylidene rhodanine tautomerism." In 2010 International Kharkov Symposium on Physics and Engineering of Microwaves, Millimeter and Submillimeter Waves (MSMW). IEEE, 2010. http://dx.doi.org/10.1109/msmw.2010.5546071.

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Ten, Galina N., and Natalia E. Shcherbakova. "Proline tautomerism in the solid phase." In Laser Physics, Photonic Technologies, and Molecular Modeling, edited by Vladimir L. Derbov. SPIE, 2022. http://dx.doi.org/10.1117/12.2625832.

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Antonov, Liudmil. "Azonaphthol tautomerism and controlled switching: Is it possible?" In PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2010 (ICCMSE-2010). AIP Publishing LLC, 2015. http://dx.doi.org/10.1063/1.4906717.

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García-Deibe, Ana, Matilde Fondo, Jesús Sanmartín, and Cristina Portela. "Imine-tetrahydroquinazoline tautomerism in a tosilated Schiff base." In The 14th International Electronic Conference on Synthetic Organic Chemistry. MDPI, 2010. http://dx.doi.org/10.3390/ecsoc-14-00426.

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Weis, Robert, Klaus Schweiger, and Walter Fabian. "Isomeric Isoxazolopyridinones: Synthesis, Tautomerism and Molecular Orbital Calculation." In The 3rd International Electronic Conference on Synthetic Organic Chemistry. MDPI, 1999. http://dx.doi.org/10.3390/ecsoc-3-01723.

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Jäger, Regina, Anna M. Chizhik, Alexey I. Chizhik, et al. "Imaging of photoinduced tautomerism in single porphyrin molecules." In SPIE NanoScience + Engineering. SPIE, 2011. http://dx.doi.org/10.1117/12.893726.

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Jameh-Bozorghi, Saeed, Hossein Shirani, Aram Ghaempanah, and Hamed Ghapanvari. "Keto-enol tautomerism in estrogen hormone. A theoretical study." In PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2010 (ICCMSE-2010). AIP Publishing LLC, 2015. http://dx.doi.org/10.1063/1.4906667.

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Rashidpour, Neda, Vikas Kashid, and Vaishali Shah. "Effect of tautomerism on Au-6-mercaptopurine nanocluster stability." In SOLID STATE PHYSICS: PROCEEDINGS OF THE 57TH DAE SOLID STATE PHYSICS SYMPOSIUM 2012. AIP, 2013. http://dx.doi.org/10.1063/1.4791075.

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Reports on the topic "Tautomerism"

1

Wampler, James, Ping Wang, Michael Shatruk, Minseong Lee, and Vivien Zapf. Spin crossover transition in a Cobalt tautomeric complex. Office of Scientific and Technical Information (OSTI), 2022. http://dx.doi.org/10.2172/1840869.

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Ruangpornvisuti, Vithaya. A Study of conformational equilibrium of semicarbazone derivatives and their complexes with cations : research report. Chulalongkorn University, 2006. https://doi.org/10.58837/chula.res.2006.36.

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The structure optimizations of picolinaldehyde N-oxide thiosemicarbazone (Hpiotsc), 2-benzoylpyridine semicarbazone (H2BzPS), their imino tautomers and their complexes with Ni(II), Cu(II) and Zn(II) were carried out using DFT calculations at the B3LYP/LANL2DZ level of theory. Thermodynamic properties of tautomerizations of Hpiotsc and H2BzPS and complexations of their complexes derived from the frequency calculations at the same level were obtained. The B3LYP/LANL2DZ-optimized geometry parameters for the complexes of [[Ni(Hpiotsc)[subscript 2]][superscript 2+]], [Cu(Hpiotsc).Cl[subscript 2]] a

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