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Relevant bibliographies by topics / Hyperconjugative effect

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Academic literature on the topic 'Hyperconjugative effect'

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

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Journal articles on the topic "Hyperconjugative effect"

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Wu, Judy I.-Chia, and Paul von Ragué Schleyer. "Hyperconjugation in hydrocarbons: Not just a “mild sort of conjugation”." Pure and Applied Chemistry 85, no. 5 (2013): 921–40. http://dx.doi.org/10.1351/pac-con-13-01-03.

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This article emphasizes two underappreciated aspects of hyperconjugation in hydrocarbons, two-way hyperconjugation and hyperconjugation in tight spaces. Nonplanar polyenes [e.g., cyclooctatetraene (D2d), biphenyl (D2), styrene (C1)], the nonplanar rotational transition states (TSs) of planar polyenes (e.g., perpendicular 1,3-butadiene), as well as the larger nonplanar Hückel or Möbius annulenes, are stabilized by effective σ-electron delocalization (involving either the C–C or C–H bonds) via two-way hyperconjugation. The collective consequence of two-way hyperconjugation in molecules can be ne

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HONG, Hu, Zhao-He HUANG, Zheng-Qi CHAI, and Yuan-Jin ZHANG. "Hyperconjugative and Stereoelectronic Effect." University Chemistry 32, no. 1 (2017): 84–105. http://dx.doi.org/10.3866/pku.dxhx201603010.

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King, James F., Manqing Li, Allan Zijun Cheng, Vinod Dave та Nicholas C. Payne. "Variation of the ease of α-sulfonyl carbanion formation with the orientation of different β-substituents: Experimental evidence for the generality of negative hyperconjugation as an important substituent effect". Canadian Journal of Chemistry 81, № 6 (2003): 638–46. http://dx.doi.org/10.1139/v03-015.

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Following up on our previous observation that the rate of formation of a β-alkoxy-substituted α-sulfonyl carbanion depends on the stereochemistry of the alkoxy group, we have found similar behaviour when the β-substituent is R2N, RS, or R3N+. With each substituent, the variation of kN (defined by kN = (kexch)X /(kexch)model) is consistent with an equation of the form log kN = a + b cos2θ, where θ is the H-C-C-X torsion angle. We propose that the a term describes the polar (field plus inductive) effect and the b term the negative hyperconjugative effect of the substituent; we show how the varia

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Silla, Josué M., Claudimar J. Duarte, Rodrigo A. Cormanich, Roberto Rittner, and Matheus P. Freitas. "Conformational analysis of 2,2-difluoroethylamine hydrochloride: double gauche effect." Beilstein Journal of Organic Chemistry 10 (April 16, 2014): 877–82. http://dx.doi.org/10.3762/bjoc.10.84.

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The gauche effect in fluorinated alkylammonium salts is well known and attributed either to an intramolecular hydrogen bond or to an electrostatic attraction between the positively charged nitrogen and the vicinal electronegative fluorine atom. This work reports the effect of adding a fluorine atom in 2-fluoroethylamine hydrochloride on the conformational isomerism of the resulting 2,2-difluoroethylamine chloride (2). The analysis was carried out using NMR coupling constants in D2O solution, in order to mimic the equilibrium conditions in a physiological medium, in the gas phase and in implici

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Port, Vinicius C., and Rodrigo A. Cormanich. "There and back again: the role of hyperconjugation in the fluorine gauche effect." Physical Chemistry Chemical Physics 23, no. 32 (2021): 17329–37. http://dx.doi.org/10.1039/d1cp02806e.

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The fluorine gauche effect was revisited by comparing the rotational profile of 1,2-difluoroethane (DFE) with several analogues, such as peroxides and dissulfides. Hyperconjugative effects are the most important ones for the gauche preference of DFE.

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Zhang, Jianen, Mingjun Chen, Xiaojie Ren, et al. "Effect of conjugation length on fluorescence characteristics of carbon dots." RSC Advances 13, no. 40 (2023): 27714–21. http://dx.doi.org/10.1039/d3ra05031a.

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Fluorescence emission is highly correlated with the conjugation length. The lower aromatic stabilization leads to longer fluorescence wavelength. The influence of sp3 carbon atoms mainly reflects in the hyperconjugative effect.

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Martins, Francisco A., Josué M. Silla, and Matheus P. Freitas. "Conformational impact of structural modifications in 2-fluorocyclohexanone." Beilstein Journal of Organic Chemistry 13 (August 24, 2017): 1781–87. http://dx.doi.org/10.3762/bjoc.13.172.

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2-Haloketones are building blocks that combine physical, chemical and biological features of materials and bioactive compounds, while organic fluorine plays a fundamental role in the design of performance organic molecules. Since these features are dependent on the three-dimensional chemical structure of a molecule, simple structural modifications can affect its conformational stability and, consequently, the corresponding physicochemical/biological property of interest. In this work, structural changes in 2-fluorocyclohexanone were theoretically studied with the aim at finding intramolecular

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MO, YIRONG, LINGCHUN SONG, WEI WU, ZEXING CAO, and QIANER ZHANG. "ELECTRONIC DELOCALIZATION: A QUANTITATIVE STUDY FROM MODERN AB INITIO VALENCE BOND THEORY." Journal of Theoretical and Computational Chemistry 01, no. 01 (2002): 137–51. http://dx.doi.org/10.1142/s0219633602000099.

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An ab initio spin-free valence bond code called Xiamen-99 has been developed based on an efficient algorithm called paired-permanent-determinant approach, where Hamiltonian and overlap matrix elements are expressed in terms of paired-permanent-determinants. With this tool, we probed the electronic delocalization phenomenon in a few typical examples including benzene, formamide and ethane. Our computations revealed that ab initio valence bond methods are able to estimate the energetic contribution from the delocalization effect to the stabilization of molecules, thus pave the way to illuminate

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Chen, XiangJun, Fang Wu, Mi Yan, et al. "Hyperconjugative effect on the electronic wavefunctions of ethanol." Chemical Physics Letters 472, no. 1-3 (2009): 19–22. http://dx.doi.org/10.1016/j.cplett.2009.02.064.

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Behrouz, Athena, and Davood Nori-Shargh. "The Importance of the Pauli Exchange-Type Repulsions and Hyperconjugative Interactions on the Conformational Properties of Halocarbonyl Isocyanates and Halocarbonyl Azides." Australian Journal of Chemistry 70, no. 1 (2017): 61. http://dx.doi.org/10.1071/ch16227.

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To gain further insight into the origin of the anomeric relationships in planar open-chain (acyclic) compounds, we examined the effects of the hyperconjugative generalized anomeric effect (HC-GAE), Pauli exchange-type repulsion (PETR), the electrostatic model associated with the dipole–dipole interactions (EM-DDI), and the attractive electrostatic interactions (AEI) between the natural atomic charges (NACs) on the conformational properties of halocarbonyl isocyanates [halogen = F (1), Cl (2), Br (3)] and halocarbonyl azides [halogen = F (4), Cl (5), Br (6)] by means of G3MP2, CCSD, MP2, and B3

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Book chapters on the topic "Hyperconjugative effect"

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Fossey, Jacques. "Conformational Preferences in ß-Substituted Ethyl Radicals: A Quantitative Analysis of Hyperconjugation, Homoconjugation, d-Orbital and Steric Effects." In Substituent Effects in Radical Chemistry. Springer Netherlands, 1986. http://dx.doi.org/10.1007/978-94-009-4758-0_5.

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"More “Effects”-Negative Hyperconjugation." In Molecular Structure. John Wiley & Sons, Inc., 2010. http://dx.doi.org/10.1002/9780470608852.ch7.

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Elliott, Mark C. "Competing SN1 Substitution and E1 Elimination." In How to Succeed in Organic Chemistry. Oxford University Press, 2020. http://dx.doi.org/10.1093/hesc/9780198851295.003.0102.

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Answer 1 In Worked Problem 1, we established that the three carbocations, 12, 13, and 14, are of broadly similar stability, as long as we are considering electronic effects (hyperconjugation). They are all tertiary carbocations.

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"Structure and Bonding in Organic Molecules." In Reactivity and Mechanism in Organic Chemistry. The Royal Society of Chemistry, 2022. http://dx.doi.org/10.1039/9781837670970-00001.

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In Chapter 1 we develop qualitative molecular orbital theory as a tool for the description of bonding phenomena. This includes selected examples of acyclic and cyclic hydrocarbons, and also illustrates the effects of including electronegative heteroatoms, such as oxygen or nitrogen. In the section of the chapter on hyperconjugative interactions we employ this toolset to explore the stability of common transient intermediates, such as carbocations and radicals, followed by an analysis of anomeric effects, gauche effects and conformational barriers in alkanes. The stability of organic molecules

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Burrows, Andrew, John Holman, Simon Lancaster, et al. "Organic reaction mechanisms." In Chemistry3. Oxford University Press, 2021. http://dx.doi.org/10.1093/hesc/9780198829980.003.0019.

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This chapter provides the key tools needed to understand and write mechanisms for the reactions of organic molecules and gives an overview of the characteristic reaction mechanisms of common functional groups. A set of guidelines for drawing reaction mechanisms, classifying organic reactions, and determining the different types of selectivity in organic reactions are included. The chapter demonstrates how to use double-headed and single-headed arrows to represent the movement of electrons in polar and radical reactions, respectively. It discusses hyperconjugation, inductive effects, and mesome

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Bansal, Anshul. "Structure and Bonding." In Basics of Organic Chemistry: A Textbook for Undergraduate Students. BENTHAM SCIENCE PUBLISHERS, 2024. http://dx.doi.org/10.2174/9789815223224124010003.

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This chapter delves into the foundational concepts of chemical structure and bonding, essential for understanding molecular interactions and properties. The chapter begins with hybridization, exploring how atomic orbitals combine to form hybrid orbitals, influencing molecular geometry and bonding properties. Bond length and bond angles are analyzed, providing insight into the spatial arrangements and distances between atoms in molecules, which are crucial for predicting molecular shape and reactivity. The concept of bond energy is introduced, highlighting the energy changes associated with bon

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Grabowski, Sławomir J. "Hydrogen Bonds and Halogen Bonds – A Comparative Study." In Intermolecular Interactions in Crystals: Fundamentals of Crystal Engineering. The Royal Society of Chemistry, 2017. http://dx.doi.org/10.1039/bk9781782621737-00478.

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The halogen and hydrogen bonds are analyzed and compared. These interactions may be classified as σ-hole bonds steered by electrostatic forces since the arrangement of the units forming complexes or greater aggregates is determined by the distribution of electrostatic potential at the molecular surfaces. However, for both interactions the effects connected with the electron charge density shifts as a result of complexation are also pronounced. Numerous common properties for the A–H⋯B hydrogen bond, HB, and the A–X⋯B (X is the halogen atom) halogen bond, XB, may be exhibited; the directionality

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Conference papers on the topic "Hyperconjugative effect"

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Tokar, A. V. "THE QUANTUM-CHEMICAL INTERPRETATION OF HYPERCONJUGATIVE EFFECTS IN ARAMID-TYPE POLYMER SYSTEMS." In NATURAL SCIENCES: HISTORY, THE PRESENT TIME, THE FUTURE, EU EXPERIENCE. Izdevnieciba “Baltija Publishing”, 2023. http://dx.doi.org/10.30525/978-9934-26-344-6-16.

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