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Relevant bibliographies by topics / Intramolecular Hydrogen Bonds

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Academic literature on the topic 'Intramolecular Hydrogen Bonds'

Author: Grafiati

Published: 4 June 2021

Last updated: 6 September 2023

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Journal articles on the topic "Intramolecular Hydrogen Bonds"

1

Jabłoński, Mirosław. "Hydrogen Bonds." Molecules 28, no. 4 (2023): 1616. http://dx.doi.org/10.3390/molecules28041616.

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Fonseca, Alexandra S., and Adailton J. Bortoluzzi. "Crystal structure of 3-[({2-[bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde." Acta Crystallographica Section E Structure Reports Online 70, no. 12 (2014): 562–65. http://dx.doi.org/10.1107/s1600536814024465.

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The non-symmetric title molecule, C32H34N2O5, is based on a tetrasubstituted ethylenediamine backbone. The molecular structure consists of three hydroxybenzyl groups and one 2-hydroxy-5-methylbenzaldehyde group bonded to the N atoms of the diamine unit. The ethylenediamine skeleton shows a regular extended conformation, while the spatial orientation of the phenol arms is governed by hydrogen bonds. In the 2-hydroxy-5-methylbenzaldehyde group, an intramolecularS(6) O—H...O hydrogen bond is observed between the alcohol and aldehyde functions, and the neighbouring phenol arm participates in an in

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3

Weber, Fabian, and Hirotoshi Mori. "On donor–acceptor-bridging intramolecular hydrogen bonds in NIR-TADF molecules." RSC Advances 13, no. 6 (2023): 3942–46. http://dx.doi.org/10.1039/d2ra07450h.

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Following a report that highlights the importance of intramolecular hydrogen bonds for improved NIR-TADF efficiency, an intramolecularly doubly hydrogen-bonded base design is investigated and compared to singly and non-bonded derivatives.

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Gehman, John D., and Marc-Antoine Sani. "Intramolecular Hydrogen Bonds in Cardiolipin." Biophysical Journal 104, no. 2 (2013): 79a. http://dx.doi.org/10.1016/j.bpj.2012.11.476.

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Wang, Se, Zhuang Wang, and Ce Hao. "Role of intramolecular hydrogen bonding in the excited-state intramolecular double proton transfer (ESIDPT) of calix[4]arene: A TDDFT study." Open Physics 14, no. 1 (2016): 602–9. http://dx.doi.org/10.1515/phys-2016-0067.

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AbstractThe time-dependent density functional theory (TDDFT) method was performed to investigate the excited-state intramolecular double proton transfer (ESIDPT) reaction of calix[4]arene (C4A) and the role of the intramolecular hydrogen bonds in the ESIDPT process. The geometries of C4A in the ground state and excited states (S1, S2 and T1) were optimized. Four intramolecular hydrogen bonds formed in the C4A are strengthened or weakened in the S2 and T1 states compared to those in the ground state. Interestingly, upon excitation to the S1 state of C4A, two protons H1 and H2 transfer along the

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Jabłoński, Mirosław. "Intramolecular Hydrogen Bonding 2021." Molecules 26, no. 20 (2021): 6319. http://dx.doi.org/10.3390/molecules26206319.

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Mamedov, Ibrahim, Uwe Eichhoff, Abel Maharramov, Musa Bayramov, and Yegana Mamedova. "Molecular dynamics of (Z)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone oxime and (E)-2-hydroxy-5-methylacetophenone thiosemicarbazone in solution studied by NMR spectroscopy." Open Chemistry 10, no. 1 (2012): 241–47. http://dx.doi.org/10.2478/s11532-011-0135-2.

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AbstractThe formation of hydrogen bonds and the molecular dynamics for molecules (Z)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone oxime and (E)-2-hydroxy-5-methylacetophenone thiosemicarbazone, (E)-4-bromoacetophenone thiosemicarbazone have been investigated in solution using NMR. The results confirm the formation of different O-H…O type intramolecular hydrogen bonds in the oxime molecule. The rotational barrier energy and energy of intramolecular hydrogen bonds have been determined.

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Grabowski, Sławomir J. "Intramolecular Hydrogen Bond Energy and Its Decomposition—O–H∙∙∙O Interactions." Crystals 11, no. 1 (2020): 5. http://dx.doi.org/10.3390/cryst11010005.

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The method to calculate the energy of intramolecular hydrogen bond is proposed and tested for a sample of malonaldehyde and its fluorine derivatives; the corresponding calculations were performed at the ωB97XD/aug-cc-pVTZ level. This method based on relationships found for related intermolecular hydrogen bonds is compared with other approaches which may be applied to estimate the intramolecular hydrogen bond energy. Particularly, methods based on the comparison of the system that contains the intramolecular hydrogen bond compared with corresponding conformations where such interaction does not

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Ejsmont, Krzysztof, Agnieszka Kudelko, and Wojciech Zieliński. "3,5-Diphenyl-1,2,4-triazin-6(1H)-one: synthesis, and X-ray and DFT-calculated structures." Acta Crystallographica Section C Crystal Structure Communications 68, no. 4 (2012): o149—o151. http://dx.doi.org/10.1107/s0108270112008384.

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The title compound, C15H11N3O, (I), was obtained by the air oxidation of 3,5-diphenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one. In the crystal structure, (I) forms centrosymmetric hydrogen-bonded dimers through pairs of N—H...N hydrogen bonds. The molecular structure of (I) deviates somewhat from planarity in the crystalline state, whereas a density functional theory (DFT) study predicts a completely planar conformation (Cspoint-group symmetry) for the isolated molecule. The solid-state conformation of (I) is stabilized by intramolecular hydrogen bonds,viz.one C—H...O interaction, which forms a six

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Fujimaki, Eiji, Asuka Fujii, Takayuki Ebata, and Naohiko Mikami. "Autoionization-detected infrared spectroscopy of intramolecular hydrogen bonds in aromatic cations. II. Unconventional intramolecular hydrogen bonds." Journal of Chemical Physics 112, no. 1 (2000): 137–48. http://dx.doi.org/10.1063/1.480569.

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Dissertations / Theses on the topic "Intramolecular Hydrogen Bonds"

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Petković, Milena. "Quantum dynamics of intramolecular hydrogen bonds in gas and condensed phase." [S.l. : s.n.], 2004. http://www.diss.fu-berlin.de/2004/281/index.html.

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Cantalapiedra, Nuria Aboitiz. "Intramolecular hydrogen-bonding studies by NMR spectroscopy." Thesis, University of Liverpool, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.366715.

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Parada, Giovanny A. "Synthesis of Biomimetic Systems for Proton and Electron Transfer Reactions in the Ground and Excited State." Doctoral thesis, Uppsala universitet, Institutionen för kemi - Ångström, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-251471.

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A detailed understanding of natural photosynthesis provides inspiration for the development of sustainable and renewable energy sources, i.e. a technology that is capable of converting solar energy directly into chemical fuels. This concept is called artificial photosynthesis. The work described in this thesis contains contributions to the development of artificial photosynthesis in two separate areas. The first one relates to light harvesting with a focus on the question of how electronic properties of photosensitizers can be tuned to allow for efficient photo-induced electron transfer proces

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Snowden, Timothy Scott. "Hydrogen bond involvement in carbon acid pKa[subscript] shifts and intramolecular general catalysis /." Full text (PDF) from UMI/Dissertation Abstracts International, 2001. http://wwwlib.umi.com/cr/utexas/fullcit?p3008444.

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Willis, Peter G. "DESIGNING MOLECULAR RECOGNITION IN THE CONTEXT OF HYDROGEN BONDING AND MOLECULAR DYNAMICS." UKnowledge, 2001. http://uknowledge.uky.edu/gradschool_diss/279.

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The effect of hydrogen bonding on the conformation of organic moleculesunifies two projects in this thesis. In one project, the stability of the intramolecularhydrogen bond in derivatives of 2-guanidinobenzimidazole was studied bydynamic 1H NMR spectrometry. The impact that this intramolecular hydrogenbond had on the bond order of the neutral guanidino group and on the dynamicconformation of these aromatic structures was related to the concept of hydrogenbond-assisted resonance. In another project, an oligomer possessing repetitiveconformation and capable of much inter- and intramolecular hydr

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Pereira, Robson Valentim. "\"Transferência de carga e ligação de hidrogênio intramolecular em derivados de 9-aminoacridina\"." Universidade de São Paulo, 2006. http://www.teses.usp.br/teses/disponiveis/75/75131/tde-18042007-172426/.

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Neste trabalho, o corante 9-aminoacridina foi derivatizado com compostos vinílicos que possuem grupos retiradores de elétrons. A incorporação destes leva à mudanças nas propriedades fotofísicas dos derivados, tais como deslocamentos para regiões de menor energia nos espectros de absorção e emissão, sugerindo a presença de transferência de carga intramolecular (ICT). Os estudos de fluorescência resolvida no tempo confirmam este processo para os derivados. Este estado ICT possui um tempo formação na faixa de 150 300 ps e um tempo de vida entre 1 3 ns, que depende do solvente. Os derivados qu

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Park, Sung Han. "Intramolecular proton-hydride interactions in iridium complexes, a new type of hydrogen bond." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1998. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape10/PQDD_0014/NQ41484.pdf.

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Bheeter, Charles Beromeo. "Palladium-catalysed C-H bond activation for simpler access to ArSO₂R derivatives." Thesis, Rennes 1, 2013. http://www.theses.fr/2013REN1S171.

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Au cours de cette thèse, nous nous sommes intéressés à l'activation de liaisons C-H catalysée par des catalyseurs au palladium pour la préparation de biaryles portant un groupement SO₂R. De très nombreux composés biologiques possèdent une fonction SO₂R. Nous avons donc choisi d'étudier activation de liaisons C-H de ce type de substrat. L'activation de liaisons C-H est considérée comme attractive pour l'environnement par rapport à d'autres types de couplages tels que Suzuki, Stille, ou Negishi. D'abord, nous avons démontré qu'il est possible d'appliquer la méthode d'activation de liaisons C-H p

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Haight, Anthony Ralph. "Intramolecular activation of tin-hydrogen and tin-carbon bonds." 1990. http://catalog.hathitrust.org/api/volumes/oclc/23366526.html.

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Thesis (Ph. D.)--University of Wisconsin--Madison, 1990.<br>Typescript. Vita. eContent provider-neutral record in process. Description based on print version record. Includes bibliographical references.

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Petković, Milena [Verfasser]. "Quantum dynamics of intramolecular hydrogen bonds in gas and condensed phase / vorglegt von Milena Petković." 2004. http://d-nb.info/972667210/34.

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Books on the topic "Intramolecular Hydrogen Bonds"

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Park, Sung Han. Intramolecular proton-hydride interactions in iridium complexes - a new type of hydrogen bond. 1998.

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2

Wu, Hongbo Bonnie. The effect on the catalytic activity of Carboxypeptidase A (CPA) by substitution at an amido group on N-benzoylglycyl-L-phenylalanice (BGP) and studies of the potential intramolecular amide-amide hydrogen bond of BGP methyl ester. 1993.

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Book chapters on the topic "Intramolecular Hydrogen Bonds"

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Jeffrey, George A., and Wolfram Saenger. "Intramolecular Hydrogen Bonds." In Hydrogen Bonding in Biological Structures. Springer Berlin Heidelberg, 1994. http://dx.doi.org/10.1007/978-3-642-85135-3_9.

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2

Koll, Aleksander, and Peter Wolschann. "Mannich Bases as Model Compounds for Intramolecular Hydrogen Bonding II [1] Structure and Properties in Solution." In Hydrogen Bond Research. Springer Vienna, 1999. http://dx.doi.org/10.1007/978-3-7091-6419-8_3.

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3

Park, Jaehun, and Robin M. Hochstrasser. "Multidimensional Infrared Spectroscopy of a Peptide NH···O Intramolecular Hydrogen Bond." In Ultrafast Phenomena XV. Springer Berlin Heidelberg, 2007. http://dx.doi.org/10.1007/978-3-540-68781-8_129.

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4

González, Leticia, Otilia Mó, and Manuel Yáñez. "Protonation and Deprotonation of Thiomalonaldehyde. The Role of the Intramolecular Hydrogen Bond." In Recent Theoretical and Experimental Advances in Hydrogen Bonded Clusters. Springer Netherlands, 2000. http://dx.doi.org/10.1007/978-94-015-9434-9_29.

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5

Nardo, Luca, Alessandra Andreoni, and Hanne Hjorth Tønnesen. "Intramolecular H-Bond Formation Mediated De-Excitation of Curcuminoids: A Time-Resolved Fluorescence Study." In Hydrogen Bonding and Transfer in the Excited State. John Wiley & Sons, Ltd, 2010. http://dx.doi.org/10.1002/9780470669143.ch17.

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6

Bartocci, Giampiero, Ugo Mazzucato, and Anna Spalletti. "Effect of Intramolecular H-Bond-Type Interactions on the Photochemistry of Aza-Stilbene-Like Molecules." In Hydrogen Bonding and Transfer in the Excited State. John Wiley & Sons, Ltd, 2010. http://dx.doi.org/10.1002/9780470669143.ch10.

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Heyne, Karsten, Milena Petković, Erik T. J. Nibbering, Oliver Kühn, and Thomas Elsaesser. "Cascaded energy redistribution upon O-H stretching excitation in an intramolecular hydrogen bond." In Springer Series in Chemical Physics. Springer Berlin Heidelberg, 2005. http://dx.doi.org/10.1007/3-540-27213-5_119.

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8

Gehlen, Marcelo H., Emanuelle R. Simas, Robson V. Pereira, and Carolina A. Sabatini. "Modulation of Dye Fluorescence by Photoinduced Intramolecular Charge Transfer with Resonance-Assisted Hydrogen Bond." In Reviews in Fluorescence 2010. Springer New York, 2011. http://dx.doi.org/10.1007/978-1-4419-9828-6_6.

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9

Kataoka, Kayoko, Takuya Kobayashi, and Tatsuo Arai. "Photochromism of Organic Compounds Undergoing Isomerization Around the C═C Double Bond and/or Intramolecular Hydrogen Atom Transfer: Small and Large Structural Change." In New Frontiers in Photochromism. Springer Japan, 2013. http://dx.doi.org/10.1007/978-4-431-54291-9_13.

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"Chapter 7. Intramolecular Hydrogen Bonds." In Theoretical and Computational Chemistry Series. Royal Society of Chemistry, 2020. http://dx.doi.org/10.1039/9781839160400-00368.

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Conference papers on the topic "Intramolecular Hydrogen Bonds"

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Santis, Garrett, and Sotiris Xantheas. "A SCALE QUANTIFYING THE STRENGTH OF INTRAMOLECULAR HYDROGEN BONDS FROM IR SPECTROSCOPY." In 2022 International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2022. http://dx.doi.org/10.15278/isms.2022.rm04.

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van Wijngaarden, Jennifer, James Singer, and Aimee Bell. "FINGERPRINTS OF INTRAMOLECULAR HYDROGEN BONDS: SYNCHROTRON-BASED FAR IR STUDY OF THE CIS AND TRANS CONFORMERS OF 2-FLUOROPHENOL." In 70th International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2015. http://dx.doi.org/10.15278/isms.2015.wg10.

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Bruckhuisen, Jonas, Valérie Vallet, Manuel Goubet, et al. "QUANTUM CHEMICAL INVESTIGATION OF INTRAMOLECULAR HYDROGEN BONDS IN OXYGENATED AROMATIC MOLECULES: INFLUENCE OF RING SIZE, DONOR/ACCEPTOR GROUPS AND SUBSTITUTANTS." In 2022 International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2022. http://dx.doi.org/10.15278/isms.2022.wb07.

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Darbandi, Masoud, Rasoul Khaledi-Alidusti, Majid Abbaspour, Hossein Reza Abbasi, and Gerry Schneider. "Study of Cut-Off Radius and Temperature Effects on Water Molecular Behavior Using Molecular Dynamics Method." In ASME 2011 9th International Conference on Nanochannels, Microchannels, and Minichannels. ASMEDC, 2011. http://dx.doi.org/10.1115/icnmm2011-58216.

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Water molecules are one of the important molecules in nanofluidics. Its structure and its behavior can change with Temperature and cut-off distance parameters. In this study temperature and cut-off distance effects on the nano-scale water molecules behavior are investigated by molecular dynamics simulations. Many water molecular models have been developed in order to help discover the structure of water molecules. In this study, the flexible three centered (TIP3P-C) water potential is used to model the inter- and intramolecular interactions of the water molecules. In this simulation, we have b

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Dimić, Dušan, Dejan Milenković, Edina Avdović, Goran Kaluđerović, and Jasmina Dimitrić Marković. "MOLECULAR DOCKING AND MOLECULAR DYNAMICS STUDIES OF THE INTERACTION BETWEEN COUMARIN-NEUROTRANSMITTER DERIVATIVES AND CARBONIC ANHYDRASE IX." In 1st INTERNATIONAL Conference on Chemo and BioInformatics. Institute for Information Technologies, University of Kragujevac,, 2021. http://dx.doi.org/10.46793/iccbi21.056d.

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Novel biologically active compounds can be obtained by the structural modification of coumarins. In this contribution, five new derivatives of 4-hydroxycoumarin with tyramine, octopamine, norepinephrine, 3-methoxytyramine, and dopamine were obtained. Their structures were optimized based on the previously obtained crystal structure of the 4-hydroxycoumarin-dopamine derivative. The special emphasis was put on the effect of various substituents on the structure of obtained compounds and intramolecular interactions governing the stability. To investigate their possible antitumor activity, molecul

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Procházková, Eliška, Lucie Čechová, Jiří Žurek, Zlatko Janeba, and Martin Dračínský. "Switchable intramolecular hydrogen bond in polysubstituted 5-nitrosopyrimidines." In XVIth Symposium on Chemistry of Nucleic Acid Components. Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 2014. http://dx.doi.org/10.1135/css201414251.

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7

Park, Jaehun, and Robin M. Hochstrasser. "Multidimensional Infrared Spectroscopy of a Peptide NH⋯O Intramolecular Hydrogen Bond." In International Conference on Ultrafast Phenomena. OSA, 2006. http://dx.doi.org/10.1364/up.2006.the5.

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Chang, Ta-Chau, Chien-Chih Chiang, and Konan Peck. "Conformational Structures of Dye-Oligonucleotides Studied by Satellite Holes." In Biomedical Optical Spectroscopy and Diagnostics. Optica Publishing Group, 2006. http://dx.doi.org/10.1364/bosd.1996.dr5.

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The spectral features of satellite holes in nonphotochemical hole burned spectra provide a promising method to identify different conformational structures of chromophore-oligonucleotides. Different hole burned spectra are observed when a 4,4-difluoro-5-(4-phenyl-l,3-butadienyl)-4-bora-3a,4a-diaza-s-indacene-3-propionic acid, succinimidyl ester (BODIPY) molecule is chemically bound to oligonucleotides of different base compositions, implying that different conformational structures exist among them. The study of satellite holes reveals that the conformational structure of BODIPY-oligonucleotid

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Pambudi, Agung B., Arif Priyangga, Djoko Hartanto, and Lukman Atmaja. "Intramolecular hydrogen bond and vibrational spectroscopic study of cellulose oligosaccharide using density functional theory." In 4TH INTERNATIONAL SEMINAR ON CHEMISTRY. AIP Publishing, 2021. http://dx.doi.org/10.1063/5.0054693.

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Bruckhuisen, Jonas, Arnaud Cuisset, Marie-Aline Martin-Drumel, et al. "HIGH-RESOLUTION GAS PHASE THz SPECTROSCOPY OF THE CATECHOL LOW FREQUENCY MODES INVOLVING AN INTRAMOLECULAR HYDROGEN BOND." In 2021 International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2021. http://dx.doi.org/10.15278/isms.2021.rh09.

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