Relevant bibliographies by topics / Tautomer

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Tautomer'

Author: Grafiati
Published: 4 June 2021
Last updated: 26 July 2025

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Journal articles on the topic "Tautomer"

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Qi, Luguang, Yanhui Jin, Huina Li, Yanpeng Dong, and Chuang Xie. "The Role of Solvent in Tautomer Solvate Crystallization: A Case of 6-Amino-1,3-Dimethyl-5-Nitrosouracil." Transactions of Tianjin University 26, no. 6 (2020): 458–69. http://dx.doi.org/10.1007/s12209-020-00247-7.

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Abstract Tautomers are structural isomers that readily interconvert and may exhibit different properties. The effect of solvent on tautomeric equilibria in solution has been a subject of some research. Tautomer solvate is less common, and the role of solvent in the crystallization of tautomer solvate remains an interesting topic. In this work, we used 6-amino-1,3-dimethyl-5-nitrosouracil (NAU) as the tautomeric model material, which can present in nitrone–enamine form (Tautomer A) or oxime–imine form (Tautomer B). A solvate with NAU/DMSO ratio of 1:1 was discovered and characterized using sing
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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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Cysewski, Piotr. "Theoretical Studies on the Tautomeric Properties of Diamino-5-formamidopyrimidines." Zeitschrift für Naturforschung C 53, no. 11-12 (1998): 1027–36. http://dx.doi.org/10.1515/znc-1998-11-1214.

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Abstract The results of theoretical geometry prediction of formamidopyrimidine(fapy)-adenine and fapy-guanine tautomers are presented. Among 54 potential tautomeric structures of fapy-adenine the most stable structure corresponds to the diamino-keto isomer. The solvent effect has insignificant influence on the fapy-adenine tautomers succession. The fapy-guanine has 172 potential isomers. There are three most stable tautomers of this guanine derivative, which may exchange the order depending on the polarity of the environment. In vapour the most probable is the 4-enol-6-keto-diamino tautomer, w
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Babu, Numbury Surendra, and Didugu Jayaprakash. "Computational Study of the Stability of Tautomers and equilibrium constants of Cyanuric acid (CA) in Different solvents." JOURNAL OF ADVANCES IN CHEMISTRY 11, no. 2 (2015): 3485–97. http://dx.doi.org/10.24297/jac.v11i2.6691.

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In the present investigation, the tautomeric and equilibrium of Cyanuric acid has been studied using Hartifock (HF) method in the gas phase and different solvents using the PCM model. The relative energies of these tautomers have been calculated at the HF level of theory using 6-311++ G (d,p) basis set. Energetics and relative stabilities of the tautomers were compared and analyzed in both the gaseous and different solvents. The results indicate that the keto tautomer (CA1) is the most stable form in the gas phase and other solvents. The order of stability of isomers was found to be CA1 > C
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Parisi, Emmanuele, and Roberto Centore. "Stabilization of an elusive tautomer by metal coordination." Acta Crystallographica Section C Structural Chemistry 77, no. 7 (2021): 395–401. http://dx.doi.org/10.1107/s2053229621006203.

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The solid-state isolation of the different tautomers of a chemical compound can be a challenging problem. In many cases, tautomers with an energy very close to the most stable one cannot be isolated (elusive tautomers). In this article, with reference to the 4-methyl-7-(pyrazin-2-yl)-2H-[1,2,4]triazolo[3,2-c][1,2,4]triazole ligand, for which the elusive 3H-tautomer has an energy only 1.4 kcal mol−1 greater than the most stable 2H form, we show that metal complexation is a successful and reliable way for stabilizing the elusive tautomer. We have prepared two complexes of the neutral ligand with
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Rybczyński, Patryk, Anna Kaczmarek-Kędziera, Alex Iglesias-Reguant, Damian Plażuk, and Borys Ośmiałowski. "Tautomeric Equilibrium in 1-Benzamidoisoquinoline Derivatives." Molecules 28, no. 3 (2023): 1101. http://dx.doi.org/10.3390/molecules28031101.

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In this study, the tautomeric equilibrium of a sequence of 1-benzamidoisoquinoline derivatives was investigated with the tools of NMR spectroscopy and computational chemistry. The equilibrium between different tautomers in these systems could be controlled via the substitution effect, and the relative content of the amide form varied from 74% for the strong electron-donating NMe2 substituent to 38% for the strong electron-accepting NO2 group in the phenyl ring. In contrast to the previously investigated 2-phenacylquinoline derivatives, the most stable and thus most abundant tautomer in the 1-b
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Li, Xiaozhou, Andrew D. Bond, Kristoffer E. Johansson, and Jacco Van de Streek. "Distinguishing tautomerism in the crystal structure of (Z)-N-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide using DFT-D calculations and13C solid-state NMR." Acta Crystallographica Section C Structural Chemistry 70, no. 8 (2014): 784–89. http://dx.doi.org/10.1107/s2053229614015356.

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The crystal structure of the title compound, C11H13N3O2S2, has been determined previously on the basis of refinement against laboratory powder X-ray diffraction (PXRD) data, supported by comparison of measured and calculated13C solid-state NMR spectra [Hanganet al.(2010).Acta Cryst.B66, 615–621]. The molecule is tautomeric, and was reported as an amine tautomer [systematic name:N-(5-ethyl-1,3,4-thiadiazol-2-yl)-p-toluenesulfonamide], rather than the correct imine tautomer. The protonation site on the molecule's 1,3,4-thiadiazole ring is indicated by the intermolecular contacts in the crystal s
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ABIRAM, A., and P. KOLANDAIVEL. "INTERACTION OF THE TAUTOMERIC STATES OF HISTIDINE WITH Cu AND Zn METAL IONS – A THEORETICAL STUDY." Journal of Theoretical and Computational Chemistry 08, no. 04 (2009): 657–76. http://dx.doi.org/10.1142/s021963360900499x.

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A density functional study on the interaction of Cu 2+ and Zn 2+ metal ions at the predominant positions of N τ– H and N π– H histidine tautomers has been performed. The fully optimized energy of the isolated histidine tautomers at B3LYP/6-311++G** level of theory depicts N τ– H tautomer to be much stable compared to that of the N π– H tautomer. The interaction of metal ions forms bidentate and tridentate complexes with N τ– H tautomer, while it is absent in the case of N π– H tautomer emphasizing the role of former in structural determination of liganated proteins. The Zn 2+ ion induces a bar
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Štoček, Jakub Radek, and Martin Dračínský. "Tautomerism of Guanine Analogues." Biomolecules 10, no. 2 (2020): 170. http://dx.doi.org/10.3390/biom10020170.

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Tautomerism of nucleic acid (NA) bases is a crucial factor for the maintenance and translation of genetic information in organisms. Only canonical tautomers of NA bases can form hydrogen-bonded complexes with their natural counterparts. On the other hand, rare tautomers of nucleobases have been proposed to be involved in processes catalysed by NA enzymes. Isocytosine, which can be considered as a structural fragment of guanine, is known to have two stable tautomers both in solution and solid states. The tautomer equilibrium of isocytosine contrasts with the remarkable stability of the canonica
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Zilberg, Shmuel, and Bernhard Dick. "Less stable tautomers form stronger hydrogen bonds: the case of water complexes." Physical Chemistry Chemical Physics 19, no. 36 (2017): 25086–94. http://dx.doi.org/10.1039/c7cp04105e.

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Hydrogen bonding in cyclic complexes of water with tautomeric pairs of molecules M<sup>0</sup> and M<sup>1</sup> is calculated to be stronger by more than 25% for the less stable tautomer M<sup>1</sup> in all cases where the energy gap between the two tautomers is large (ΔE(M<sup>0</sup> − M<sup>1</sup>) &gt; 10 kcal mol<sup>−1</sup>).
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Dissertations / Theses on the topic "Tautomer"

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Bowers, Gregory Arland. "Chemical Applications in Techniques of Emerging Significance: Nanoparticle Transformation in Mitochondria and Relative Tautomer Populations in Cellular Automata." Wright State University / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=wright1516085869626903.

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Eberlein, Lukas J. [Verfasser], Stefan M. [Akademischer Betreuer] Kast, and Roland [Gutachter] Winter. "A combined computational and NMR-spectroscopic approach for tautomer elucidation under extreme conditions towards investigating the robustness of genetic codes / Lukas J. Eberlein ; Gutachter: Roland Winter ; Betreuer: Stefan M. Kast." Dortmund : Universitätsbibliothek Dortmund, 2021. http://d-nb.info/1230628673/34.

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Holroyd, Leo. "Mutagenicity of 5-bromouracil : quantum chemical study." Thesis, University of St Andrews, 2015. http://hdl.handle.net/10023/7063.

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This thesis describes a computational investigation of the mutagenicity of 5-bromouracil (BrU). In Chapter 1, three models of spontaneous and BrU-induced base mispairing (rare tautomer, wobble pair, and ion) are reviewed. Chapter 2 presents the computational techniques used: electronic structure methods (Hartree–Fock-based and density functional theory) and molecular dynamics. Chapter 3 presents optimisations of the keto and enol tautomers of BrU and uracil (U) in water clusters. The enol tautomer of BrU is found to be more stable than that of U. Chapter 4 is a molecular dynamics study of the
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M'BOUNGOU-M'PASSI, ATHANASE. "Tautomerie enantioselective de photoenols." Reims, 1993. http://www.theses.fr/1993REIM5014.

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Au cours de ce travail, nous avons effectue l'irradiation d'un ester alpha,beta-insature a temperature variable, pour rechercher les points isocinetique et d'iso-inversion de la reaction de protonation asymetrique du photodienol. Nous avons aussi developpe une nouvelle voie de synthese asymetrique permettant d'acceder en milieu neutre a des cetones chirales. Selon cette methode, un photoenol est genere a partir d'une cetone aromatique ayant un hydrogene en gamma suivant la reaction de norrish ii. L'induction asymetrique est obtenue par tautomerie de l'enol intermediaire, en presence d'une quan
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Glavatskikh, Marta. "Modeling and visualization of complex chemical data using local descriptors." Thesis, Strasbourg, 2018. http://www.theses.fr/2018STRAF008/document.

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Cette étude considère des systèmes où non seulement la structure moléculaire, mais les conditions expérimentales sont impliquées. Les structures chimiques ont été codées par des descripteurs locaux ISIDA MA ou ISIDA CGR, ciblant spécifiquement les centres actifs et leur environnement le plus proche. Les descripteurs locaux ont été combinés avec les paramètres spécifiques des conditions expérimentales, codant ainsi un objet chimique particulier. La méthodologie a été appliquée avec succès pour la modélisation QSPR des paramètres thermodynamiques et cinétiques des interactions intermoléculaires
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Guven, Alaettin. "Potentially tautomeric pyridazino(4, 5-b)indolones." Thesis, University of East Anglia, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.306148.

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Kuldova, Karia. "Photochromisme par transfert de proton : mécanismes réactionnels et stabilité des formes colorées." Université Joseph Fourier (Grenoble), 1997. http://www.theses.fr/1997GRE10043.

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La reaction de la photocoloration du 2-dnbp (2-(2', 4'-dinitrobenzyl)pyridine) par transfert intramoleculaire de proton est etudiee en solution par spectroscopie d'absorption transitoire. Plusieurs approches pour stabiliser les tautomeres colores sont mises en uvre. La duree de vie de l'anion du 2-dnbp est augmentee en utilisant un cryptate comme accepteur de proton, alors que la forme coloree nh est stabilisee par modification du groupement accepteur de proton: addition de liaison hydrogene ou augmentation de la distance donneur-accepteur. Les formes colorees du 4-dnbp (4-(2', 4'-dinitrobenzy
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Celik, Bayar Caglar. "Theoretical Investigation Of Tautomeric Equilibria In Certain Explosive Materials." Phd thesis, METU, 2012. http://etd.lib.metu.edu.tr/upload/12615630/index.pdf.

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Explosive materials have always been attracting the attention of scientists. Various explosives either in pure bulk form or as admixtures are synthesized and investigated from different points of view. However, because of dangerous character of these materials, their syntheses and properties have to be forecasted by theoretical studies. The new research trends of explosive materials generally include the designs of novel derivatives of well&ndash<br>known explosives to improve their detonation performances (heats of explosion, detonation velocities and detonation pressures) and thermal stabi
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Wessner, Rachael Ann. "Theoretical Estimation of pKa’s of Pyrimidines and Related Heterocycles." Wright State University / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=wright1469798346.

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Matute, Morales Ricardo. "Estudio teórico de la estructura electrónica y de los mecanismos de tautomería lactama-lactima en bilinas de fitocromo." Tesis, Universidad de Chile, 2010. http://www.repositorio.uchile.cl/handle/2250/105186.

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Books on the topic "Tautomer"

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s, Vasile s. Alexake. Elenchos tautote ta. Exantas, 1986.

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

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

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Schlabach, Martin. NMR-spektroskopische Untersuchungen der Tautomerie von Porphyrinen und Hydroporphyrinen. [s.n.], 1989.

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s, Gianne s. Gerase. E neoelle nike tautote ta kai oi mythikoi metasche matismoi te s. Roes, 1989.

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Breisgau, Universität Freiburg im, ed. Kernspinresonanzspektroskopische Untersuchungen der Tautomerie cyclischer Oxalamidine einschliesslich der zugehörigen kinetischen Wasserstoff/Deuterium-Isotopen- und Lösungsmitteleffekte. [s.n.], 1990.

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Katritzky, Alan R. Advances in heterocyclic chemistry. London, 2000.

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Olekhnovich, L. P., Yu A. Zhdanov, and V. I. Minkin. Molecular Design of Tautomeric Compounds. Springer, 2012.

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Olekhnovich, L. P., Yu A. Zhdanov, and V. I. Minkin. Molecular Design of Tautomeric Compounds. Springer Netherlands, 2011.

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Book chapters on the topic "Tautomer"

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Cleaves, Henderson James. "Tautomer." In Encyclopedia of Astrobiology. Springer Berlin Heidelberg, 2015. http://dx.doi.org/10.1007/978-3-662-44185-5_5247.

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Cleaves, Henderson James. "Tautomer." In Encyclopedia of Astrobiology. Springer Berlin Heidelberg, 2022. http://dx.doi.org/10.1007/978-3-642-27833-4_5247-2.

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Cleaves, Henderson James. "Tautomer." In Encyclopedia of Astrobiology. Springer Berlin Heidelberg, 2023. http://dx.doi.org/10.1007/978-3-662-65093-6_5247.

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Cleaves, Henderson James Jim. "Tautomer." In Encyclopedia of Astrobiology. Springer Berlin Heidelberg, 2014. http://dx.doi.org/10.1007/978-3-642-27833-4_5247-1.

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Welford, S. H. "Tautomer Processing in the Beilstein Registry System." In Software-Entwicklung in der Chemie 2. Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-73283-6_3.

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de Vries, Mattanjah S. "Tautomer-Selective Spectroscopy of Nucleobases, Isolated in the Gas Phase." In Tautomerism. Wiley-VCH Verlag GmbH & Co. KGaA, 2013. http://dx.doi.org/10.1002/9783527658824.ch7.

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Taylor, Peter J. "The “Basicity Method” for Estimating Tautomer Ratio: A Radical Re-Appraisal." In Tautomerism. Wiley-VCH Verlag GmbH & Co. KGaA, 2013. http://dx.doi.org/10.1002/9783527658824.ch12.

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Taylor, Peter J. "The Scope and Limitations of LSER in the Study of Tautomer Ratio." In Tautomerism. Wiley-VCH Verlag GmbH & Co. KGaA, 2013. http://dx.doi.org/10.1002/9783527658824.ch11.

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Gooch, Jan W. "Tautomers." In Encyclopedic Dictionary of Polymers. Springer New York, 2011. http://dx.doi.org/10.1007/978-1-4419-6247-8_14924.

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Bartolini, Barbara, Cristina Corniello, Antonio Sella, Francesca Somma, and Vincenzo Politi. "The Enol Tautomer of Indole-3-Pyruvic Acid as A Biological Switch in Stress Responses." In Advances in Experimental Medicine and Biology. Springer US, 2003. http://dx.doi.org/10.1007/978-1-4615-0135-0_69.

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Conference papers on the topic "Tautomer"

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Chapman, C. F., T. J. Marrone, R. S. Moog, and M. Maroncelli. "Excited-State Proton Transfer and Hydrogen-Bonding Dynamics in 7-Azaindole: Time-Resolved Fluorescence and Computer Simulation." In International Conference on Ultrafast Phenomena. Optica Publishing Group, 1992. http://dx.doi.org/10.1364/up.1992.fc6.

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7-Azaindole (7AI) is one of a class of molecules that exhibit dual fluorescence as a result of excited-state tautomer formation. The tautomer is reached through a proton transfer from the initially excited "normal" form, the only form present in the ground electronic state. When isolated (in the gas phase or in non-hydroxylic solvents) 7AI does not tautomerize at an observable rate. However, in non-polar solvents, 7-azaindole forms dimers which enable the excited-state tautomerization to occur via a double proton transfer mechanism. Tautomerization in 7AI dimers has been studied for quite some
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Schwartz, Benjamin J., Linda A. Peteanu, and Charles B. Harris. "Solvent Effects on the Fast Proton Transfer of 3-Hydroxyflavone." In International Conference on Ultrafast Phenomena. Optica Publishing Group, 1992. http://dx.doi.org/10.1364/up.1992.tuc5.

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One of the most widely studied systems exhibiting proton transfer (PT) has been 3-hydroxyflavone (3HF). Proton transfer in 3HF was first proposed [1] to explain the observation of two distinct fluorescence bands in the blue and green spectral regions following the absorption of a UV photon. The blue, or near UV fluorescence is thought to arise from the normal form of the molecule, whereas emission from the tautomer is the more strongly Stokes shifted green fluorescence (Fig. 1). Careful studies have shown that the blue, normal emission appears only when 3HF is in hydrogen bonding solvents or i
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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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ARSENE, Ion, and Viorica PURCEL. "Theoretical study of proton transfer in the uracil molecule." In "Instruire prin cercetare pentru o societate prosperă", conferinţă ştiinţifico-practică internaţională. Ion Creangă Pedagogical State University, 2024. https://doi.org/10.46727/c.v1.16-17-05-2024.p51-56.

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In this work, the possible mechanisms of proton migration in the process of tautomerization of the nitrogenous base uracil were studied. 3 possibilities for proton transfer initiation were identified and studied, with the stabilization anergy of 5 isomers studied. Using DFT calculations it was demonstrated that it is possible to control the tautomerization energy and the reaction barrier of each individual mechanism. The activation energy for all proton transfer mechanisms varies between 42.86 and 56.48 kcal/mol. The molecular structure with greater stability is the canonical form, present in
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Диденко, Антон Александрович, Наталья Павловна Дюрба, Татьяна Ивановна Лаврикова, and Наталья Алексеевна Гаврилова. "SPECTRAL STUDIES OF THE TAUTOMERIC FORM OF ALKANE- AND CYCLOALKANDIAMMONIUM P-NITROSOPHENOL SALTS." In Технические и естественные науки: сборник избранных статей по материалам Международной научной конференции (Санкт-Петербург, Декабрь 2021). Crossref, 2022. http://dx.doi.org/10.37539/tns300.2021.68.97.003.

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С помощью электронной, ЯМР Н, С и ИК спектроскопии исследована нитрозофенол - хиноноксимная таутомерия алкан- и циклоалкандиаммониевых солей п -нитрозофенола. Показано, что данные соли в кристаллическом виде и в водных растворах находятся в хиноноксимной форме, в растворах ДМСО присутствуют обе формы с преобладанием хиноноксимной. The tautomerism nitrosophenol-quinoneoxime of alkane- and cycloalkanediammonium salts of p -nitrosophenol has been studied using H, C NMR, IR spectroscopy and electronic absorption spectra. It was shown that these salts in crystalline form and in aqueous solutions ar
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Sanmartín-Matalobos, Jesús, Ana García-Deibe, Cristina Portela-García, Lucía Briones-Miguéns, and Matilde Fondo. "Controlling the ring-chain tautomeric equilibrium of a tetrahydroquinazoline/imine system by steric hindrance." In The 17th International Electronic Conference on Synthetic Organic Chemistry. MDPI, 2013. http://dx.doi.org/10.3390/ecsoc-17-a023.

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Uhlemann, Thomas, Christian Müller, and Sebastian Seidel. "CONFORMER-SPECIFIC IR SPECTROSCOPY OF LASER-DESORBED SULFONAMIDE DRUGS: TAUTOMERIC AND CONFORMATIONAL PREFERENCES OF SULFANILAMIDE AND ITS DERIVATIVES." In 72nd International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2017. http://dx.doi.org/10.15278/isms.2017.wc10.

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Samijlenko, Svitlana P., Andriy V. Stepanyugin, Andriy L. Potyahaylo, and Dmytro M. Hovorun. "Tautomeric transition in uracil and thymine nucleosides induced by deprotonated carboxylic group: 1H NMR data." In SPIE Proceedings, edited by Galyna O. Puchkovska, Tatiana A. Gavrilko, and Olexandr I. Lizengevich. SPIE, 2004. http://dx.doi.org/10.1117/12.570015.

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Cocinero, Emilio, Walther Caminati, Camilla Calabrese, et al. "SOLVING THE TAUTOMERIC EQUILIBRIUM OF PURINE THROUGH THE ANALYSIS OF THE COMPLEX HYPERFINE STRUCTURE OF THE FOUR 14N NUCLEI." In 71st International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2016. http://dx.doi.org/10.15278/isms.2016.we04.

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Mazhukina, Olga A., Ekaterina M. Arzyamova, Vyacheslav S. Grinev, and Alevtina Yu Yegorova. "Spectroscopic Investigation, Component Analysis, and DFT Calculations of Tautomeric Forms of Substituted Dihydro-6H-chromeno[4,3-d]pyrazolo[1,5-a]pyrimidin-6-one." In ECSOC 2023. MDPI, 2023. http://dx.doi.org/10.3390/ecsoc-27-16106.

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Reports on the topic "Tautomer"

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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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Abstract:
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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