Variation of Nucleophilicity NHnA of Atoms A in Hydrides HnA with the Group and Row of A in the Periodic Table

Nucleophilicities N-HnA of hydrides of atoms A acting as hydrogen-bond acceptors in complexes H(n)AHX are reported. The H(n)A initially chosen are HB, H2C, H3N, H2O, and HF, that is from groups 13, 14, 15, 16, and 17, respectively, of row 1 of the Periodic Table. The Lewis acids HX involved are HF,...

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Bibliographic Details
Authors: Alkorta, Ibon, Legon, Anthony
Format: article
Status:Published version
Publication Date:2025
Country:España
Institution:Consejo Superior de Investigaciones Científicas (CSIC)
Repository:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/391347
Online Access:http://hdl.handle.net/10261/391347
Access Level:Open access
Keyword:Dissociation energies of hydrogen-bonded complexesof Lewis bases HnA
Dependence of nucleophilicity of Group and Row in Periodic Table
nucleophilicities of hydrides of Group 13-17 atoms in Periodic Table
Description
Summary:Nucleophilicities N-HnA of hydrides of atoms A acting as hydrogen-bond acceptors in complexes H(n)AHX are reported. The H(n)A initially chosen are HB, H2C, H3N, H2O, and HF, that is from groups 13, 14, 15, 16, and 17, respectively, of row 1 of the Periodic Table. The Lewis acids HX involved are HF, HCl, HBr, HI, HCCH, and HCP. Nucleophilicities are determined from dissociation energies D-e for the process H(n)AHX = H(n)A + HX by using D-e = cN(HnA).E-HX, where E-HX are electrophilicities of the Lewis acids HX. This procedure is also followed for hydrides H(n)A in which the atoms A are from the same groups, but from rows 2, 3, and 4 of the Periodic Table. The order of N-HnA values found is row 1 > row 2 approximate to row 3 approximate to row 4 in each of groups 13, 15, 15, 16, and 17, with a large decrease from row 1 to row 2 but with small decreases from rows 2 to 3 to 4. The series RgHX is similarly investigated to give the order of nucleophilicities Rg = Xe > Kr > Ar. > Ne, which is reversed from that in the hydrides of groups 13 to 17.