Relevant bibliographies by topics / Intramolecular pi-type hydrogen bonding

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  1. Journal articles
  2. Dissertations / Theses
  3. Book chapters
  4. Conference papers

Academic literature on the topic 'Intramolecular pi-type hydrogen bonding'

Author: Grafiati
Published: 4 June 2021
Last updated: 13 February 2022

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Journal articles on the topic "Intramolecular pi-type hydrogen bonding"

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Kheria, Sanjeev, Suresh Rayavarapu, Amol S. Kotmale, and Gangadhar J. Sanjayan. "Three in one: prototropy-free highly stable AADD-type self-complementary quadruple hydrogen-bonded molecular duplexes with a built-in fluorophore." Chemical Communications 53, no. 18 (2017): 2689–92. http://dx.doi.org/10.1039/c6cc09478c.

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This communication reports an effective approach for addressing the prototropy-related problems in heterocycle-based AADD-type self-assembling systems by freezing their hydrogen-bonding codes, by utilizing intramolecular bifurcated hydrogen bonding interactions.
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Hansen, Poul Erik. "A Spectroscopic Overview of Intramolecular Hydrogen Bonds of NH…O,S,N Type." Molecules 26, no. 9 (2021): 2409. http://dx.doi.org/10.3390/molecules26092409.

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Intramolecular NH…O,S,N interactions in non-tautomeric systems are reviewed in a broad range of compounds covering a variety of NH donors and hydrogen bond acceptors. 1H chemical shifts of NH donors are good tools to study intramolecular hydrogen bonding. However in some cases they have to be corrected for ring current effects. Deuterium isotope effects on 13C and 15N chemical shifts and primary isotope effects are usually used to judge the strength of hydrogen bonds. Primary isotope effects are investigated in a new range of magnitudes. Isotope ratios of NH stretching frequencies, νNH/ND, are
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Ocola, Esther J., та Jaan Laane. "Spectroscopic and Theoretical Study of the Intramolecular π-Type Hydrogen Bonding and Conformations of 2-Cyclopenten-1-ol". Molecules 26, № 4 (2021): 1106. http://dx.doi.org/10.3390/molecules26041106.

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The conformations of 2-cyclopenten-1-ol (2CPOL) have been investigated by high-level theoretical computations and infrared spectroscopy. The six conformational minima correspond to specific values of the ring-puckering and OH internal rotation coordinates. The conformation with the lowest energy possesses intramolecular π-type hydrogen bonding. A second conformer with weaker hydrogen bonding has somewhat higher energy. Ab initio coupled-cluster theory with single and double excitations (CCSD) was used with the cc-pVTZ (triple-ζ) basis set to calculate the two-dimensional potential energy surfa
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Afonin, Andrei V., Alexander V. Vashchenko, Tatsuya Takagi, Atsuomi Kimura, and Hideaki Fujiwara. "Specific intramolecular interactions C-H···N in heteroaryl vinyl ethers and heteroaryl vinyl sulfides studied by 1H, 13C, and 15N NMR spectroscopies and by ab initio calculations on molecular structures as well as on nuclear shieldings." Canadian Journal of Chemistry 77, no. 4 (1999): 416–24. http://dx.doi.org/10.1139/v99-038.

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1H,13C, and 15N NMR spectra have been measured for a series of isostructural aryl (heteroaryl) vinyl sulfides and compared with analogues of vinyl ethers. It was found that "intramolecular interaction" of the α-hydrogen of the vinyl group with endocyclic nitrogen takes place in 2-vinylthiopyridines. This is in common with the findings for 2-vinyloxypyridine and the intramolecular interaction is shown to have a profile characteristic of hydrogen bonding. Also, the NMR spectral data show that this type of interaction is more intense (~1.5 times) in 2-vinyloxypyridine than in 2-vinylthiopyridine.
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Phillips, John N., and Wendy K. Banham. "Hydrogen Bonding of Cyanoacrylates with the D 1 Peptide." Zeitschrift für Naturforschung C 48, no. 3-4 (1993): 132–35. http://dx.doi.org/10.1515/znc-1993-3-403.

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Abstract Representatives of two structural types of cyanoacrylate PS II inhibitors have been studied in respect to their pI50 values and qualitative rate of binding with wild type and S 264 G mutant thylakoids isolated from Brassica napus. Both are potent inhibitors of photosynthetic electron transport and both show a large discrimination between wild type and mutant thylakoids under equilibrium conditions. However one, an N-methylanilino cyanoacrylate, has an initial rapid reaction with both wild type and mutant thylakoids, but continues to react slowly with the wild type species until equili
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Saravanan, Raju, Harkesh B. Singh, and Ray J. Butcher. "Bis(2-nitrophenyl) selenide, bis(2-aminophenyl) selenide and bis(2-aminophenyl) telluride: structural and theoretical analysis." Acta Crystallographica Section C Structural Chemistry 77, no. 6 (2021): 271–80. http://dx.doi.org/10.1107/s2053229621005015.

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Three organoselenium and organotellurium compounds containing ortho substitutents, namely, bis(2-nitrophenyl) selenide, C12H8N2O4Se, 2, bis(2-aminophenyl) selenide, C12H12N2Se, 3, and bis(2-aminophenyl) telluride, C12H12N2Te, 7, have been investigated by both structural and theoretical methods. In the structures of all three compounds, there are intramolecular contacts between both Se and Te with the ortho substituents. In the case of 2, this is achieved by rotation of the nitro group from the arene plane. For 3, both amino groups exhibit pyramidal geometry and are involved in intramolecular N
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Tang, Ting-Hua, Dennis M. Whitfield, Stephen P. Douglas, Jiri J. Krepinsky, and Imre G. Csizmadia. "Differential reactivity of carbohydrate hydroxyls in glycosylations. I. Intramolecular interaction of the 5′-hydroxyl group with the heteroaromatic base in a model compound of 2′-deoxycytidine." Canadian Journal of Chemistry 70, no. 9 (1992): 2434–48. http://dx.doi.org/10.1139/v92-309.

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It is a well-recognized conjecture that the unusual reactivity of certain carbohydrate hydroxyls in glycosylation reactions is due to non-covalent intramolecular bonding interactions involving that hydroxyl. A model compound 1-[β-D-2′,3′-dideoxyribofuranosyl]-2-(1H)-pyrimidinone, which is related to the poor glycosyl acceptor 2′-deoxy-3′-O,4-N-diacetylcytidine (1), has been studied in order to assess the effects of hydrogen bonding involving 05′—H and the heteroaromatic system present in the molecule. The conformational potential energy surfaces of the model compound (lacking only the acetoxy
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Zamora, M. A., H. A. Baldoni, A. M. Rodriguez та ін. "Peptide model XXVIII: An exploratory ab initio and density functional study on the side-chain-backbone interaction in N-acetyl-L-cysteine- N-methylamide and N-formyl-L-cysteinamide in their γL-backbone conformations". Canadian Journal of Chemistry 80, № 7 (2002): 832–44. http://dx.doi.org/10.1139/v02-076.

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A conformational and electronic study on the energetically preferred conformations (γL) of N- and C-protected L-cysteine (P-CONH-CH(CH2SH)-CONH-Q, where P and Q may be H or Me) was carried out. After restraining the backbone (BB) conformation to its global minimum (γL or C7eq), all nine possible side-chain (SC) conformations were subjected to geometry optimization at the HF/3–21G and the B3LYP/6–31G(d,p) levels of theory. Seven of the nine side-chain conformers were located on the potential-energy surface. All conformers were subjected to an AIM (atoms in molecules) analysis. This study indica
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Müller, Andreas, та Gerhard Maas. "Hydrogen Bonding of two l-(φ-Ammonioalkyl)-2-acyl-cyclopentadienides in the Solid State". Zeitschrift für Naturforschung B 55, № 6 (2000): 541–45. http://dx.doi.org/10.1515/znb-2000-0616.

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The solid-state structures of a l-(φ-ammoniopropyl)-2-(2-thienylcarbonyl)-cyclopentadienide (2) and a l-(φ-ammoniopentyl)-2-(4-methoxybenzoyl)-cyclopentadienide (3) have been determined. Both betaines self-assemble by NH ··· O hydrogen bonds, but the motifs are different. In the ammoniopropyl case, both intramolecular and intermolecular hydrogen bonds of this type exist, the latter bond being responsible for the formation of infinite chains. In the ammoniopentyl case, intermolecular hydrogen bonds build up a two-dimensional network which contains centrosymmetric dimers held together by NH ···
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Zhang, Nuonuo, Tingting Zhang, Liu Wen, Long Wang, Jiaying Yan та Kaibo Zheng. "Tuning the excited-state intramolecular proton transfer (ESIPT) process of indole–pyrrole systems by π-conjugation and substitution effects: experimental and computational studies". Physical Chemistry Chemical Physics 22, № 3 (2020): 1409–15. http://dx.doi.org/10.1039/c9cp05064g.

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Dissertations / Theses on the topic "Intramolecular pi-type hydrogen bonding"

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Ocola, Esther. "Vibrational and Theoretical Investigations of Molecular Conformations and Intramolecular pi-Type Hydrogen Bonding." Thesis, 2011. http://hdl.handle.net/1969.1/ETD-TAMU-2011-12-10523.

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The molecular conformations, potential energy functions and vibrational spectra of several cyclic molecules have been investigated by ab initio and density functional theory calculations and by infrared and Raman spectroscopy. The ab initio computations of 3-cyclopenten-1-ol predict that its lowest energy conformer has a weak pi-type intramolecular hydrogen bonding. The three other conformers lie 301 to 411 cm^-1 higher in energy. The infrared and Raman spectra of this molecule confirm the presence of the four conformers. The energy difference between the two conformers of lowest energy was
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Gallo, Elizabeth A. "Conformation-directing effects of intramolecular hydrogen bond formation Part I: N-H--(pi) hydrogen bonding in a norbornenyl diamide : Part II: -̉helical turn formation in small model depsipeptides /." 1993. http://catalog.hathitrust.org/api/volumes/oclc/30840836.html.

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Book chapters on the topic "Intramolecular pi-type hydrogen bonding"

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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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Conference papers on the topic "Intramolecular pi-type hydrogen bonding"

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Ocola, Esther, та Jaan Laane. "VAPOR-PHASE INFRARED AND RAMAN SPECTRA AND THEORETICAL INVESTIGATIONS OF π-TYPE INTRAMOLECULAR HYDROGEN BONDING IN 3-CYCLOPENTEN-1-OL AND 3-CYCLOPENTEN-1-AMINE". У 2020 International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2020. http://dx.doi.org/10.15278/isms.2020.wa02.

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