Relevant bibliographies by topics / Electronegativity atoms

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

Academic literature on the topic 'Electronegativity atoms'

Author: Grafiati
Published: 28 May 2022
Last updated: 31 July 2025

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Journal articles on the topic "Electronegativity atoms"

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Robles-Navarro, Andrés, Carlos Cárdenas, and Patricio Fuentealba. "Electronegativity under Confinement." Molecules 26, no. 22 (2021): 6924. http://dx.doi.org/10.3390/molecules26226924.

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The electronegativity concept was first formulated by Pauling in the first half of the 20th century to explain quantitatively the properties of chemical bonds between different types of atoms. Today, it is widely known that, in high-pressure regimes, the reactivity properties of atoms can change, and, thus, the bond patterns in molecules and solids are affected. In this work, we studied the effects of high pressure modeled by a confining potential on different definitions of electronegativity and, additionally, tested the accuracy of first-order perturbation theory in the context of density fu
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GHOSH, DULAL C. "A NEW SCALE OF ELECTRONEGATIVITY BASED ON ABSOLUTE RADII OF ATOMS." Journal of Theoretical and Computational Chemistry 04, no. 01 (2005): 21–33. http://dx.doi.org/10.1142/s0219633605001556.

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A new scale of electronegativity is designed on the basis of the environment independent absolute radii of atoms. In this scale, the electronegativity is an intrinsic free-atom property and the basis of assumption is quantum mechanically viable. The qualitative relation between the size and electronegativity is relied upon and a quantitative general formula of evaluation of electronegativity in terms of the absolute radii of atoms is suggested as χ = a × (1/R)+ b, where χ is electronegativity and R is absolute radius of atoms, a and b are two constants determined by least square fitting for ea
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P, Ramakrishnan. "Electronegativity A Force or Energy." International Journal of Trend in Scientific Research and Development 3, no. 4 (2019): 665–85. https://doi.org/10.31142/ijtsrd23864.

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Electronegativity as force or energy leads to new ansatz at critical point in binding or bonding state in between two similar atoms or dissimilar atoms. Electronegativity as a quantum mechanical entity energy or non quantum entity force is yet to be answered. The dual approach to electronegativity has been discussed in this paper. The aim of this paper is to prove that Electronegativity as Hellman Feynman Force is more accurate and absolute. Electronegativity has been computed using the Hartree Fock and Rothan Hrtree Fock energy equations and equivalent electrostatic force equation. P Ramakris
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Karol, Paul J. "Extending electronegativities to superheavy Main Group atoms." Chemistry International 42, no. 3 (2020): 12–15. http://dx.doi.org/10.1515/ci-2020-0305.

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AbstractIUPAC recently published recommendations on rules for oxidation states within which was an endorsement of the electronegativity scale, called configuration energies, conceived by Allen and constructed from available calculated results. In conjunction with the International Year of the Periodic Table and the recognized extension of the Periodic Table through the end of its seventh period, it seemed timely to broaden those simple electronegativity calculations to include Main Group superheavy elements.
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Batsanov, Stepan S., and Andrei S. Batsanov. "Solid-state electronegativity of atoms: new approaches." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 77, no. 4 (2021): 495–505. http://dx.doi.org/10.1107/s2052520621004704.

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Electronegativities (EN) of 65 elements (H to Bi, except lanthanides and noble gases, plus U and Th) in solids were derived from various observed parameters, namely, bond energies in solids, structural geometry, work functions and force constants, yielding a set of internally consistent values. The solid-state electronegativities are generally lower than the conventional (`molecular') values, due to different coordination numbers and electronic structure in a solid versus a molecule; the decrease is stronger for metals than for non-metals, hence binary compounds have a wider EN difference and
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Putz, Mihai V. "Chemical Bonding by the Chemical Orthogonal Space of Reactivity." International Journal of Molecular Sciences 22, no. 1 (2020): 223. http://dx.doi.org/10.3390/ijms22010223.

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The fashionable Parr–Pearson (PP) atoms-in-molecule/bonding (AIM/AIB) approach for determining the exchanged charge necessary for acquiring an equalized electronegativity within a chemical bond is refined and generalized here by introducing the concepts of chemical power within the chemical orthogonal space (COS) in terms of electronegativity and chemical hardness. Electronegativity and chemical hardness are conceptually orthogonal, since there are opposite tendencies in bonding, i.e., reactivity vs. stability or the HOMO-LUMO middy level vs. the HOMO-LUMO interval (gap). Thus, atoms-in-molecu
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Sauterer, Roger. "From Backwater to Center Stage: Using Electronegativity as a Central Concept for Understanding Chemical Principles in Biology Classes." American Biology Teacher 73, no. 8 (2011): 480–83. http://dx.doi.org/10.1525/abt.2011.73.8.10.

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Understanding basic chemical concepts, including bonding, polar and nonpolar molecules, and hydrogen bonds is difficult for many biology students, who often have minimal chemistry backgrounds. The concept of electronegativity is introduced at the beginning of the chemical foundations part of a biology course as a central integrative concept. By using the electronegativity concept and an associated line graph, students gain an understanding of why ionic and covalent bonds form and which atoms form them, why atoms form polar and nonpolar covalent bonds, and what chemical groups can form hydrogen
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Komorowski, Ludwik, and Józef Lipiński. "Quantumchemical electronegativity and hardness indices for bonded atoms." Chemical Physics 157, no. 1-2 (1991): 45–60. http://dx.doi.org/10.1016/0301-0104(91)87129-j.

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Lu, Mingyue, Lirong Zheng, Rongguan Li, Qingxin Guan, and Wei Li. "Efficient hydrogenation performance improvement of MoP and Ni2P catalysts by adjusting the electron distribution around Mo and Ni atoms." RSC Advances 6, no. 69 (2016): 65081–88. http://dx.doi.org/10.1039/c6ra09862b.

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Farfán-Paredes, Mónica, Oscar González-Antonio, Diana E. Tahuilan-Anguiano, et al. "Physicochemical and computational insight of 19F NMR and emission properties of meso-(o-aryl)-BODIPYs." New Journal of Chemistry 44, no. 45 (2020): 19459–71. http://dx.doi.org/10.1039/d0nj02576c.

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Dissertations / Theses on the topic "Electronegativity atoms"

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Коваленко, Ольга Андріївна, Ольга Андреевна Коваленко, Olha Andriivna Kovalenko та ін. "Методика оценки электроотрицательности атомов и заместителей в молекуле". Thesis, Сумский государственный университет, 2015. http://essuir.sumdu.edu.ua/handle/123456789/40721.

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Для оценки способности отдельного атома смещать к себе электронные пары в физике вводится такая величина как электроотрицательность. Возникла необходимость ввести подобную характеристику для совокупности атомов.
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Books on the topic "Electronegativity atoms"

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1948-, Sen K. D., Jørgensen Christian Klixbüll, and Alonso J. A. 1948-, eds. Electronegativity. Springer-Verlag, 1987.

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Parr, Robert G., and Yang Weitao. Density-Functional Theory of Atoms and Molecules. Oxford University Press, 1995. http://dx.doi.org/10.1093/oso/9780195092769.001.0001.

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This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the
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Book chapters on the topic "Electronegativity atoms"

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Bi, Songhu, Zhen Geng, Liming Jin, Mingzhe Xue, and Cunman Zhang. "Porous Heterogeneous Sulfide Nickel/Nickel Iron Alloy Catalysts for Oxygen Evolution Reaction of Alkaline Water Electrolysis at High Current Density." In Proceedings of the 10th Hydrogen Technology Convention, Volume 1. Springer Nature Singapore, 2024. http://dx.doi.org/10.1007/978-981-99-8631-6_13.

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AbstractAlkaline water electrolysis is the important pathway for the green hydrogen production, where oxygen evolution reaction (OER) is the rate-limiting step due to the sluggish reaction kinetics. Transition metal heterogeneous catalyst is the kind of important OER catalyst for alkaline water electrolysis due to its good performance, low price and environmental friendliness. In this work, the porous sulfide nickel@nickel iron alloy catalyst (i.e. NM/NS@Ni3Fe) is prepared by the designed high-temperature vulcanization and multi-step electrodeposition method. The NM/NS@Ni3Fe catalyst exhibits
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"Polarity of Bonds, Electronegativity, and Intermolecular Forces." In Basic Chemistry for Life Science Students and Professionals. The Royal Society of Chemistry, 2023. http://dx.doi.org/10.1039/9781839168086-00033.

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The bonding between a carbon and another carbon atom or between carbon and hydrogen atoms is based on an almost equal sharing of electrons. This results in non-polar bonds, whereas bonding between carbon (or hydrogen) atoms with more electronegative elements such as oxygen and nitrogen forms polar bonds with electrons tending to be held more to the electronegative side. Such polar bonding with partial electronic charge distributions has implications for intermolecular interactions between the same or different types of molecules. The different types of intermolecular forces that bring molecule
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Keeler, James, and Peter Wothers. "Electrons in atoms." In Why chemical reactions happen. Oxford University Press, 2003. http://dx.doi.org/10.1093/hesc/9780199249732.003.0004.

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This chapter explores electrons in atoms. It mentions how a chemical bond involves the sharing of electrons. The chapter refers to the concept behind quantum mechanics as the behaviour of electrons in atoms and molecules. It notes the significance of atomic energy levels, atomic orbitals, and electronic configuration by explaining hydrogen orbitals. Photoelectron spectroscopy (PES) provides a particularly direct way of looking into the energy levels of electrons in atoms and molecules. The chapter explores how wavefunctions predict the spatial distribution of electrons. It also includes the us
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Clugston, Michael, Malcolm Stewart, and Fabrice Birembaut. "Bonding and Molecular Shape." In Making the Transition to University Chemistry. Oxford University Press, 2021. http://dx.doi.org/10.1093/hesc/9780198757153.003.0002.

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This chapter discusses bonding and molecular shape of electrons. A covalent bond occurs when atoms share a pair of similar electrons. Modern theories on covalent bonding are dominated by molecular orbital theory. Polar covalent bonds occur when different atoms share the electron pair unequally due to electronegativity. With benzene being the most familiar molecule of the bonding, delocalization happens when more than two atoms are involved in the bonding. The valence-shell electron-pair repulsion (VSEPR) theory can help us to visualize the shapes of simple molecules. Additionally, ionic bondin
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Atkins, Peter, Julio de Paula, and David Smith. "Molecular orbital theory: heteronuclear diatomics." In Elements of Physical Chemistry. Oxford University Press, 2016. http://dx.doi.org/10.1093/hesc/9780198727873.003.0058.

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This chapter looks at the molecular orbital theory (MO theory) of heteronuclear diatomic molecules and ions, which introduces the possibility that atomic orbitals on two atoms contribute unequally to the molecular orbital. It points out how polarity can be expressed in terms of the concept of electronegativity. It also examines the bonding molecular orbital of a heteronuclear diatomic molecule or ion which is composed mostly of the atomic orbital of the more electronegative atom. The chapter describes the electron distribution in the covalent bond between the atoms in a heteronuclear species,
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Okuyama, Tadashi, and Howard Maskill. "Atoms, Molecules, and Chemical Bonding—a Review." In Organic Chemistry. Oxford University Press, 2013. http://dx.doi.org/10.1093/hesc/9780199693276.003.0001.

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This chapter presents an overview of organic chemistry and looks at the compounds of carbon. It argues that there are hugely more compounds of carbon than of all other elements combined. The chapter then discusses the special properties of the element, and the characteristics of the carbon atom. It begins the study of organic chemistry by reviewing the nature of atoms and, in particular, their electronic structures. The chapter also looks at valence electrons and ionic and covalent bonds. It then explains the method of representing atoms which gave prominence to their valence electrons and fac
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Hinze, Juergen. "The concept of electronegativity of atoms in molecules." In Theoretical and Computational Chemistry. Elsevier, 1999. http://dx.doi.org/10.1016/s1380-7323(99)80009-0.

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Jones, John. "Introduction: the main themes." In Core Carbonyl Chemistry. Oxford University Press, 1997. http://dx.doi.org/10.1093/hesc/9780198559597.003.0001.

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This introductory chapter provides an overview of the carbonyl group, which is the commonest reactive component of organic structures. In carbonyl compounds, both the carbon and oxygen atoms are sp <sup>2</sup> hybridized, with the σ-bonds to carbon and the oxygen lone pairs coplanar. As the electronegativity of oxygen is greater than that of carbon, the carbonyl group is polarized, with the carbon atom positively charged relative to the oxygen, so that the carbon atom is electron-demanding. All the reactions of carbonyl compounds discussed in this book involve electron-supply to the electron-
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Weller, Mark, Jonathan Rourke, Tina Overton, and Fraser Armstrong. "Atomic structure." In Inorganic Chemistry. Oxford University Press, 2018. http://dx.doi.org/10.1093/hesc/9780198768128.003.0002.

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This chapter provides foundations for an explanation of the trends in the physical and chemical properties of all inorganic compounds. The chapter begins with a discussion on the origin of matter in the solar system and then considers the development of understanding of atomic structure and the behaviour of electrons in atoms. It reviews the structures and properties of atoms, acknowledging that these are crucial in understanding the behaviour of molecules and solids. The chapter also qualitatively introduces quantum theory and uses the results to rationalize properties such as atomic radii, i
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Norman, Nicholas C. "Atomic structure and the form of the periodic table." In Periodicity and the s- and p-Block Elements. Oxford University Press, 2021. http://dx.doi.org/10.1093/hesc/9780198835349.003.0002.

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This chapter discusses a range of properties of isolated atoms of the s- and p-block elements which will introduce the ideas of periodicity. It begins by looking at the idea of effective nuclear charge, which is useful in understanding many aspects of periodicity; but in order to utilize and appreciate the concept fully, a quantitative scale is desirable whereby we can look at values and trends in values for the valence electrons of the elements in which we are interested. The chapter then considers ionization energies and electron affinities. The ionization energy is the energy required to co
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Conference papers on the topic "Electronegativity atoms"

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Xu, Jiaxuan, and Hua Bao. "Substantial Phonon Nonequilibrium Near Nanoscale Hotspots in Ⅲ-Ⅴ Semiconductors." In ASME 2024 7th International Conference on Micro/Nanoscale Heat and Mass Transfer. American Society of Mechanical Engineers, 2024. http://dx.doi.org/10.1115/mnhmt2024-131799.

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Abstract At nanoscale, as the heat carriers in semiconductors, phonons exert a significant impact on the performance of modern nanoelectronics. This paper reveals substantial phonon nonequilibrium near nanoscale hotspots in some III-V semiconductors based on the first-principle-based phonon Boltzmann transport equation (BTE), including wurtzite gallium nitride, aluminum nitride, and zinc-blende boron arsenide. We have illustrated that this unusually pronounced phonon nonequilibrium stems from two effects, i.e., the ballistic phonon transport and the selective phonon excitation. On one hand, th
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