The nature of the chemical bond

Dunning, Jr., Thom H.; Gordon, Mark S.; Xantheas, Sotiris S.

doi:10.1063/5.0148500

The nature of the chemical bond

Journal Article · Tue Apr 04 00:00:00 EDT 2023 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/5.0148500· OSTI ID:2283291

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University of Washington, Seattle, WA (United States); University of Illinois at Urbana-Champaign, IL (United States); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Iowa State University, Ames, IA (United States)
University of Washington, Seattle, WA (United States); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

The nature of the chemical bond has long been a topic of much interest, beginning with the speculations of Isaac Newton about the “forces” that hold atoms together to the famous book by Linus Pauling with this title. For chemists, the existence of bonds between the atoms in a molecule is without question, but what are they, how can they be categorized, and what accounts for their existence? Furthermore, early theories focused on the attraction of electrical charges of opposite sign, which could account for the binding in many inorganic molecules. But what would account for the binding in electrically neutral organic molecules? Slightly more than a century ago, G. N. Lewis noted that the chemical bond appeared to be associated with electron pairs. Shortly after the discovery of the wave equation by Irwin Schrödinger in 1925-6, Heitler and London showed that quantum mechanics, in the form of what would eventually be called valence bond (VB) theory, accounted for the binding in that most improbable of molecules, the simple H₂ molecule.

View Accepted Manuscript (DOE)

Research Organization:: Ames Laboratory (AMES), Ames, IA (United States); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 2283291

Alternate ID(s):: OSTI ID: 1968383

Report Number(s):: PNNL-SA--182044

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 13 Vol. 158; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (85)

The Complete Active Space Self-Consistent Field Method and its Applications in Electronic Structure Calculations Roos, Björn O. Advances in Chemical Physics https://doi.org/10.1002/9780470142943.ch7	book	January 1987
The Chemical Bond Frenking, Gernot; Shaik, Sason Wiley‐VCH Verlag GmbH & Co. https://doi.org/10.1002/9783527664696	book	May 2014
Analytic Models of Domain-Averaged Fermi Holes: A New Tool for the Study of the Nature of Chemical Bonds Ponec, Robert; Cooper, David L.; Savin, Andreas Chemistry - A European Journal, Vol. 14, Issue 11 https://doi.org/10.1002/chem.200701727	journal	April 2008
Massively parallel quantum chemical density matrix renormalization group method Brabec, Jiri; Brandejs, Jan; Kowalski, Karol Journal of Computational Chemistry, Vol. 42, Issue 8 https://doi.org/10.1002/jcc.26476	journal	December 2020
Generalized population analysis of three-center two-electron bonding Ponec, Robert; Cooper, David L. International Journal of Quantum Chemistry, Vol. 97, Issue 6 https://doi.org/10.1002/qua.20007	journal	January 2004
Analysis of the chemical bond: I. The binding energy of the MO-LCAO scheme with an approximate correction for left-right correlation, and its physical fragmentation Driessler, Frank; Kutzelnigg, Werner Theoretica Chimica Acta, Vol. 43, Issue 1 https://doi.org/10.1007/BF00548953	journal	January 1976
The role of kinetic energy in chemical binding: II. Contragradience Goddard, William A.; Wilson, C. Woodrow Theoretica Chimica Acta, Vol. 26, Issue 3 https://doi.org/10.1007/bf00529307	journal	January 1972
Wechselwirkung neutraler Atome und hom�opolare Bindung nach der Quantenmechanik Heitler, W.; London, F. Zeitschrift f�r Physik, Vol. 44, Issue 6-7 https://doi.org/10.1007/bf01397394	journal	June 1927
Multicenter bonding and the structure of electron-rich molecules. Model of three-center four-electron bonding reconsidered Ponec, Robert; Yuzhakov, Gleb; Cooper, David L. Theoretical Chemistry Accounts, Vol. 112, Issue 5-6 https://doi.org/10.1007/s00214-004-0597-9	journal	July 2004
Are atoms intrinsic to molecular electronic wavefunctions? I. The FORS model Ruedenberg, Klaus; Schmidt, Michael W.; Gilbert, Mary M. Chemical Physics, Vol. 71, Issue 1 https://doi.org/10.1016/0301-0104(82)87004-3	journal	September 1982
Are atoms sic to molecular electronic wavefunctions? II. Analysis of fors orbitals Ruedenberg, Klaus; Schmidt, Michael W.; Gilbert, Mary M. Chemical Physics, Vol. 71, Issue 1 https://doi.org/10.1016/0301-0104(82)87005-5	journal	September 1982
Are atoms intrinsic to molecular electronic wavefunctions? III. Analysis of FORS configurations Ruedenberg, Klaus; Schmidt, Michael W.; Gilbert, Mary M. Chemical Physics, Vol. 71, Issue 1 https://doi.org/10.1016/0301-0104(82)87006-7	journal	September 1982
Faster Self-Consistent Field (SCF) Calculations on GPU Clusters Barca, Giuseppe M. J.; Alkan, Melisa; Galvez-Vallejo, Jorge L. Journal of Chemical Theory and Computation, Vol. 17, Issue 12 https://doi.org/10.1021/acs.jctc.1c00720	journal	November 2021
Spin-Coupled Generalized Valence Bond Theory: New Perspect i ves on the Electronic Structure of Molecules and Chemical Bonds Dunning, Thom H.; Xu, Lu T.; Cooper, David L. The Journal of Physical Chemistry A, Vol. 125, Issue 10 https://doi.org/10.1021/acs.jpca.0c10472	journal	March 2021
Correction to “Orbital Hybridization in Modern Valence Bond Wave Functions: Methane, Ethylene, and Acetylene” Xu, Lu T.; Dunning, Thom H. The Journal of Physical Chemistry A, Vol. 125, Issue 40 https://doi.org/10.1021/acs.jpca.1c08386	journal	October 2021
A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. II. Strongly Correlated MCSCF Wave Functions West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S. The Journal of Physical Chemistry A, Vol. 119, Issue 41 https://doi.org/10.1021/acs.jpca.5b03399	journal	October 2015
A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. III. The Covalent Bonding Structure of Urea West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S. The Journal of Physical Chemistry A, Vol. 119, Issue 41 https://doi.org/10.1021/acs.jpca.5b03400	journal	October 2015
A Comprehensive Analysis in Terms of Molecule-Intrinsic Quasi-Atomic Orbitals. IV. Bond Breaking and Bond Forming along the Dissociative Reaction Path of Dioxetane West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S. The Journal of Physical Chemistry A, Vol. 119, Issue 41 https://doi.org/10.1021/acs.jpca.5b03402	journal	October 2015
Orbital Hybridization in Modern Valence Bond Wave Functions: Methane, Ethylene, and Acetylene Xu, Lu T.; Dunning, Thom H. The Journal of Physical Chemistry A, Vol. 124, Issue 1 https://doi.org/10.1021/acs.jpca.9b11054	journal	December 2019
Guest–Host Interactions in Clathrate Hydrates: Benchmark MP2 and CCSD(T)/CBS Binding Energies of CH₄, CO₂, and H₂S in (H₂O)₂₀ Cages Heindel, Joseph P.; Herman, Kristina M.; Aprà, Edoardo The Journal of Physical Chemistry Letters, Vol. 12, Issue 31 https://doi.org/10.1021/acs.jpclett.1c01884	journal	August 2021
Classical Valence Bond Approach by Modern Methods Wu, Wei; Su, Peifeng; Shaik, Sason Chemical Reviews, Vol. 111, Issue 11 https://doi.org/10.1021/cr100228r	journal	November 2011
Bonding Power of Electrons and Theory of Valence. Mulliken, Robert S. Chemical Reviews, Vol. 9, Issue 3 https://doi.org/10.1021/cr60034a001	journal	December 1931
The atom and the Molecule. Lewis, Gilbert N. Journal of the American Chemical Society, Vol. 38, Issue 4 https://doi.org/10.1021/ja02261a002	journal	April 1916
On the interpretation of domain averaged Fermi hole analyses of correlated wavefunctions Francisco, E.; Martín Pendás, A.; Costales, Aurora Physical Chemistry Chemical Physics, Vol. 16, Issue 10 https://doi.org/10.1039/c3cp54513j	journal	January 2014
The dipole moment of the C—H bond Coulson, C. A. Trans. Faraday Soc., Vol. 38, Issue 0 https://doi.org/10.1039/tf9423800433	journal	January 1942
Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations Vogiatzis, Konstantinos D.; Ma, Dongxia; Olsen, Jeppe The Journal of Chemical Physics, Vol. 147, Issue 18 https://doi.org/10.1063/1.4989858	journal	November 2017
Inter-anion chalcogen bonds: Are they anti-electrostatic in nature? Fan, Dan; Chen, Li; Wang, Changwei The Journal of Chemical Physics, Vol. 155, Issue 23 https://doi.org/10.1063/5.0076872	journal	December 2021
The many-body electronic interactions of Fe(II)–porphyrin Rask, A. E.; Zimmerman, P. M. The Journal of Chemical Physics, Vol. 156, Issue 9 https://doi.org/10.1063/5.0079310	journal	March 2022
Atomic isotropic hyperfine properties for first row elements (B–F) revisited Feller, David; Stanton, John F.; Davidson, Ernest R. The Journal of Chemical Physics, Vol. 156, Issue 3 https://doi.org/10.1063/5.0080155	journal	January 2022
Do not forget the Rydberg orbitals Simons, Jack The Journal of Chemical Physics, Vol. 156, Issue 10 https://doi.org/10.1063/5.0084574	journal	March 2022
Chlorine dioxide: An exception that proves the rules of localized chemical bonding Weinhold, Frank The Journal of Chemical Physics, Vol. 156, Issue 12 https://doi.org/10.1063/5.0084739	journal	March 2022
The influence of a solvent environment on direct non-covalent interactions between two molecules: A symmetry-adapted perturbation theory study of polarization tuning of π–π interactions by water Sirianni, Dominic A.; Zhu, Xiao; Sitkoff, Doree F. The Journal of Chemical Physics, Vol. 156, Issue 19 https://doi.org/10.1063/5.0087302	journal	May 2022
Nature of chemical bond and potential barrier in an invariant energy-orbital picture Arasaki, Yasuki; Takatsuka, Kazuo The Journal of Chemical Physics, Vol. 156, Issue 23 https://doi.org/10.1063/5.0088340	journal	June 2022
CH₄, an ab initio story of an archetypal species Kalemos, Apostolos The Journal of Chemical Physics, Vol. 156, Issue 21 https://doi.org/10.1063/5.0088788	journal	June 2022
e⁺(PsH)₂: A three-positron molecule with a positronic chemical bond Bressanini, Dario The Journal of Chemical Physics, Vol. 156, Issue 15 https://doi.org/10.1063/5.0089157	journal	April 2022
Atomic shell structure from Born probabilities: Comparison to other shell descriptors and persistence in molecules Menéndez-Herrero, María; Munárriz, Julen; Francisco, Evelio The Journal of Chemical Physics, Vol. 156, Issue 16 https://doi.org/10.1063/5.0089438	journal	April 2022
Disrupting bonding in azoles through beryllium bonds: Unexpected coordination patterns and acidity enhancement Montero-Campillo, M. Merced; Mó, Otilia; Alkorta, Ibon The Journal of Chemical Physics, Vol. 156, Issue 19 https://doi.org/10.1063/5.0089716	journal	May 2022
The nature of supermolecular bonds: Investigating hydrocarbon linked beryllium solvated electron precursors Jackson, Benjamin A.; Miliordos, Evangelos The Journal of Chemical Physics, Vol. 156, Issue 19 https://doi.org/10.1063/5.0089815	journal	May 2022
Unified one-electron Hamiltonian formalism of spin–orbit Jahn–Teller and pseudo-Jahn–Teller problems in tetrahedral and octahedral symmetries Pradhan, Ekadashi; Yao, Guoying; Yang, Zhenyu The Journal of Chemical Physics, Vol. 157, Issue 6 https://doi.org/10.1063/5.0090053	journal	August 2022
Understanding the chemical bonding of ground and excited states of HfO and HfB with correlated wavefunction theory and density functional approximations Ariyarathna, Isuru R.; Duan, Chenru; Kulik, Heather J. The Journal of Chemical Physics, Vol. 156, Issue 18 https://doi.org/10.1063/5.0090128	journal	May 2022
Difficulty of the evaluation of the barrier height of an open-shell transition state between closed shell minima: The case of small C_4n rings David, Grégoire; Ben Amor, Nadia; Zeng, Tao The Journal of Chemical Physics, Vol. 156, Issue 22 https://doi.org/10.1063/5.0090129	journal	June 2022
Electron group localization in atoms and molecules Silvi, Bernard; Alikhani, Esmaïl The Journal of Chemical Physics, Vol. 156, Issue 24 https://doi.org/10.1063/5.0090142	journal	June 2022
Orbital contraction and covalent bonding Bacskay, George B. The Journal of Chemical Physics, Vol. 156, Issue 20 https://doi.org/10.1063/5.0090196	journal	May 2022
Bonding properties of molecular cerium oxides tuned by the 4f-block from ab initio perspective Chen, Ziyong; Yang, Jun The Journal of Chemical Physics, Vol. 156, Issue 21 https://doi.org/10.1063/5.0090214	journal	June 2022
Finding critical points and reconstruction of electron densities on grids Otero-de-la-Roza, Alberto The Journal of Chemical Physics, Vol. 156, Issue 22 https://doi.org/10.1063/5.0090232	journal	June 2022
Stereoinversion of tetrahedral p-block element hydrides Sigmund, Lukas M.; Ehlert, Christopher; Gryn’ova, Ganna The Journal of Chemical Physics, Vol. 156, Issue 19 https://doi.org/10.1063/5.0090267	journal	May 2022
Multi-center bonds as resonance hybrids: A real space perspective Reuter, L.; van Staalduinen, N.; Simons, J. The Journal of Chemical Physics, Vol. 156, Issue 22 https://doi.org/10.1063/5.0090607	journal	June 2022
Intramolecular hydrogen bonding analysis Harville, Taylor; Gordon, Mark S. The Journal of Chemical Physics, Vol. 156, Issue 17 https://doi.org/10.1063/5.0090648	journal	May 2022
λ-DFVB(U): A hybrid density functional valence bond method based on unpaired electron density Zheng, Peikun; Gan, Zixi; Zhou, Chen The Journal of Chemical Physics, Vol. 156, Issue 20 https://doi.org/10.1063/5.0091592	journal	May 2022
The effect of uncertainty on building blocks in molecules Scemama, Anthony; Savin, Andreas The Journal of Chemical Physics, Vol. 156, Issue 23 https://doi.org/10.1063/5.0091681	journal	June 2022
A general tight-binding based energy decomposition analysis scheme for intermolecular interactions in large molecules Xu, Yuan; Zhang, Shu; Lindahl, Erik The Journal of Chemical Physics, Vol. 157, Issue 3 https://doi.org/10.1063/5.0091781	journal	July 2022
Analysis of chemical bonding of the ground and low-lying states of Mo₂ and of Mo₂Cl_x complexes, x = 2–10 Depastas, Teo; Androutsopoulos, Alexandros; Tzeli, Demeter The Journal of Chemical Physics, Vol. 157, Issue 5 https://doi.org/10.1063/5.0091907	journal	August 2022
Extraction of local spin-coupled states by second quantized operators Nakatani, Kaho; Higashi, Masahiro; Sato, Hirofumi The Journal of Chemical Physics, Vol. 157, Issue 1 https://doi.org/10.1063/5.0092834	journal	July 2022
Dynamical electron correlation and the chemical bond. I. Covalent bonds in AH and AF (A = B–F) Xu, Lu T.; Dunning, Thom H. The Journal of Chemical Physics, Vol. 157, Issue 1 https://doi.org/10.1063/5.0093414	journal	July 2022
How electronic superpositions drive nuclear motion following the creation of a localized hole in the glycine radical cation Danilov, Don; Tran, Thierry; Bearpark, Michael J. The Journal of Chemical Physics, Vol. 156, Issue 24 https://doi.org/10.1063/5.0093780	journal	June 2022
Resonance and electrostatics making the difference in boron- and aluminum-halide structures and exchange reactivity Molina-Aguirre, Gabriela; Pannell, Keith H.; Pinter, Balazs The Journal of Chemical Physics, Vol. 157, Issue 1 https://doi.org/10.1063/5.0094286	journal	July 2022
Ab initio composite strategies and multireference approaches for lanthanide sulfides and selenides S. Almeida, Nuno M.; Melin, Timothé R. L.; North, Sasha C. The Journal of Chemical Physics, Vol. 157, Issue 2 https://doi.org/10.1063/5.0094367	journal	July 2022
Electronic structure analysis of copper photoredox catalysts using the quasi-restricted orbital approach Sandoval-Pauker, Christian; Pinter, Balazs The Journal of Chemical Physics, Vol. 157, Issue 7 https://doi.org/10.1063/5.0094380	journal	August 2022
Electronic densities and valence bond wave functions Hagebaum-Reignier, D.; Racine, J.; Humbel, S. The Journal of Chemical Physics, Vol. 156, Issue 20 https://doi.org/10.1063/5.0094554	journal	May 2022
Bonding in nitrile photo-dissociating ruthenium drug candidates—A local vibrational mode study McCutcheon, Margaret; Freindorf, Marek; Kraka, Elfi The Journal of Chemical Physics, Vol. 157, Issue 1 https://doi.org/10.1063/5.0094567	journal	July 2022
The many-body expansion for metals. I. The alkaline earth metals Be, Mg, and Ca Mato, Joani; Tzeli, Demeter; Xantheas, Sotiris S. The Journal of Chemical Physics, Vol. 157, Issue 8 https://doi.org/10.1063/5.0094598	journal	August 2022
Atoms and interatomic bonding synergism inherent in molecular electronic wave functions Ruedenberg, Klaus The Journal of Chemical Physics, Vol. 157, Issue 2 https://doi.org/10.1063/5.0094609	journal	July 2022
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Prediction of correlation energies using variational subspace valence bond Fletcher, Graham D.; Bertoni, Colleen; Keceli, Murat The Journal of Chemical Physics, Vol. 157, Issue 12 https://doi.org/10.1063/5.0098146	journal	September 2022
Extension of natural reaction orbital approach to multiconfigurational wavefunctions Ebisawa, Shuichi; Tsutsumi, Takuro; Taketsugu, Tetsuya The Journal of Chemical Physics, Vol. 157, Issue 8 https://doi.org/10.1063/5.0098230	journal	August 2022
Real-time equation-of-motion CC cumulant and CC Green’s function simulations of photoemission spectra of water and water dimer Vila, Fernando D.; Rehr, John J.; Pathak, Himadri The Journal of Chemical Physics, Vol. 157, Issue 4 https://doi.org/10.1063/5.0099192	journal	July 2022
Benchmarking the semi-stochastic CC(P;Q) approach for singlet–triplet gaps in biradicals Chakraborty, Arnab; Yuwono, Stephen H.; Deustua, J. Emiliano The Journal of Chemical Physics, Vol. 157, Issue 13 https://doi.org/10.1063/5.0100165	journal	October 2022
Understanding electronic structures, chemical bonding, and fluxional behavior of Lu₂@C_2n (2n = 76–88) by a theoretical study Shui, Yuan; Pei, Gerui; Zhao, Pei The Journal of Chemical Physics, Vol. 157, Issue 18 https://doi.org/10.1063/5.0100652	journal	November 2022
Dynamical electron correlation and the chemical bond. II. Recoupled pair bonds in the a⁴Σ⁻ states of CH and CF Dunning, Thom H.; Xu, Lu T. The Journal of Chemical Physics, Vol. 157, Issue 8 https://doi.org/10.1063/5.0104693	journal	August 2022
Supported or unsupported three-center two-electron bonds? A criterion based on Interference Energy Analysis Sousa, David Wilian Oliveira de; Nascimento, Marco Antonio Chaer The Journal of Chemical Physics, Vol. 157, Issue 17 https://doi.org/10.1063/5.0123267	journal	November 2022
Atoms and bonds in molecules as synergisms of interactions between electrons and nuclei Ruedenberg, Klaus The Journal of Chemical Physics, Vol. 157, Issue 21 https://doi.org/10.1063/5.0124417	journal	December 2022
High-performance GPU-accelerated evaluation of electron repulsion integrals Galvez Vallejo, Jorge Luis; Barca, Giuseppe M. J.; Gordon, Mark S. Molecular Physics https://doi.org/10.1080/00268976.2022.2112987	journal	August 2022
New Developments in Molecular Orbital Theory Roothaan, C. C. J. Reviews of Modern Physics, Vol. 23, Issue 2 https://doi.org/10.1103/revmodphys.23.69	journal	April 1951
The Physical Nature of the Chemical Bond Ruedenberg, Klaus Reviews of Modern Physics, Vol. 34, Issue 2 https://doi.org/10.1103/revmodphys.34.326	journal	April 1962
Localized Atomic and Molecular Orbitals Edmiston, Clyde; Ruedenberg, Klaus Reviews of Modern Physics, Vol. 35, Issue 3 https://doi.org/10.1103/revmodphys.35.457	journal	July 1963
Valence Bond Theory—Its Birth, Struggles with Molecular Orbital Theory, Its Present State and Future Prospects Shaik, Sason; Danovich, David; Hiberty, Philippe C. Molecules, Vol. 26, Issue 6 https://doi.org/10.3390/molecules26061624	journal	March 2021

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