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Molecular theory considering nuclear potential wells

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Abstract

This article introduces potential wells around nuclei and their roles in chemical bonds. The approach uses one-electron Bohr atomic model concept. Multi-electron atoms are converted to one-electron atoms by grounding all inactive, non-reacting electrons using the Apparent Nuclear Charge (ANC) and Electron Shielding Effect (ESE) concepts introduced in earlier publications. Then, the resulting two one-electron atoms and their potential wells are utilized to obtain the related chemical bond length. The methodology is applicable to all elements of periodic table without a need for any additional tool. To test the concept, calculated bond lengths were compared to experimental ones for about 90 different bonds, which showed an average error of less than 5%. The article discusses some nontraditional views for chemical bonds which may contradict the traditional beliefs in chemistry. Hopefully, readers would consider the calculated results in support of the presented views. Attached to this article is a computer software program which was prepared with sample input and output files for readers. The software can be utilized to obtain any interested bond length. The software is applicable to all elements in the periodic table up to the element Hassium with the atomic number of 108.

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Nuclear potential well associated with the electron of hydrogen atom

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  1. SUNY Erie, PO Box 94, Clarence Center, NY, USA

    Dariush Habibollah Zadeh

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  1. Dariush Habibollah Zadeh
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Correspondence to Dariush Habibollah Zadeh.

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This article is submitted in honor of Prof. Peter Politzer who admitted the author to his research group, taught, helped, and supported him until he could make contributions to theoretical physical chemistry.

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Zadeh, D.H. Molecular theory considering nuclear potential wells. J Mol Model 27, 185 (2021). https://doi.org/10.1007/s00894-021-04804-2

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