Literature DB >> 17602460

Theoretical study of complexes and fluoride cation transfer between N2F+ and electron donors.

Ibon Alkorta1, Mohammad Solimannejad, Patricio Provasi, Jose Elguero.   

Abstract

A theoretical study of the complexes formed by the N2F cation (fluorodiazonium ion) and a series of small molecules containing nitrogen atoms have been carried out at the MP2 computational level. In addition, fluorine transfer has been studied. The electron density, NMR shielding and indirect coupling constants of the complexes have been evaluated. The covalent or halogen bonding characteristics of the N...F interactions observed in the complexes are defined by the interatomic distance. It has been determined that the limiting value is 1.6 A.

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Year:  2007        PMID： 17602460     DOI： 10.1021/jp073112m

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN： 1089-5639            Impact factor:   2.781


  6 in total

1.  The Importance of Strain (Preorganization) in Beryllium Bonds.

Authors:  Ibon Alkorta; José Elguero; Josep M Oliva-Enrich; Manuel Yáñez; Otilia Mó; M Merced Montero-Campillo
Journal:  Molecules       Date:  2020-12-11       Impact factor: 4.411

2.  Halogen Bonding Involving CO and CS with Carbon as the Electron Donor.

Authors:  Janet E Del Bene; Ibon Alkorta; José Elguero
Journal:  Molecules       Date:  2017-11-12       Impact factor: 4.411

3.  Hydrogen vs. Halogen Bonds in 1-Halo-Closo-Carboranes.

Authors:  Ibon Alkorta; Jose Elguero; Josep M Oliva-Enrich
Journal:  Materials (Basel)       Date:  2020-05-07       Impact factor: 3.623

4.  A Computational Study of Metallacycles Formed by Pyrazolate Ligands and the Coinage Metals M = Cu(I), Ag(I) and Au(I): (pzM)n for n = 2, 3, 4, 5 and 6. Comparison with Structures Reported in the Cambridge Crystallographic Data Center (CCDC).

Authors:  José Elguero; Ibon Alkorta
Journal:  Molecules       Date:  2020-11-03       Impact factor: 4.411

5.  Interaction between Trinuclear Regium Complexes of Pyrazolate and Anions, a Computational Study.

Authors:  Ibon Alkorta; José Elguero; Cristina Trujillo; Goar Sánchez-Sanz
Journal:  Int J Mol Sci       Date:  2020-10-28       Impact factor: 5.923

6.  Reactivity of Coinage Metal Hydrides for the Production of H2 Molecules.

Authors:  Iñigo Iribarren; Goar Sánchez-Sanz; José Elguero; Ibon Alkorta; Cristina Trujillo
Journal:  ChemistryOpen       Date:  2021-07-28       Impact factor: 2.630
  6 in total

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