| Literature DB >> 34036421 |
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. Nuclear potential well associated with the electron of hydrogen atom.Entities:
Keywords: Atomic shell structure; Bohr atomic model; Bond lengths; Chemical bonds; De Broglie’s concept; Depth of potential wells; Ionization energy; Location of potential wells; Molecular structure; Molecular theory; Nuclear potential wells; Schrödinger molecular theory
Year: 2021 PMID: 34036421 DOI: 10.1007/s00894-021-04804-2
Source DB: PubMed Journal: J Mol Model ISSN: 0948-5023 Impact factor: 1.810