List of works - José Elguero

A Conceptual DFT Study of Phosphonate Dimers: Dianions Supported by H-Bonds

scientific article published on 05 March 2020

A theoretical NMR study of polymorphism in crystal structures of azoles and benzazoles

scientific article published on 22 January 2019

A theoretical NMR study of selected benzazoles: Comparison of GIPAW and GIAO-PCM (DMSO) calculations.

scientific article

Activation of Dinitrogen as A Dipolarophile in 1,3-Dipolar Cycloadditions: A Theoretical Study Using Nitrile Imines as "Octet" 1,3-Dipoles

scientific article published on 21 July 2017

An experimental and computational NMR study of organometallic nine-membered rings: Trinuclear silver(I) complexes of pyrazolate ligands

scientific article published on 05 February 2020

Are Anions of Cyclobutane Beryllium Derivatives Stabilized through Four-Center One-Electron Bonds?

scientific article published on 18 February 2020

Assignment of 1 H and 13 C NMR data for three pairs of diastereomers of 4'-X benzo[1,3]cyclopropa[1,2-b]chromene-4,5-diones (X = H, OCH3 , and Cl)

scientific article published on 26 June 2019

Be- and Mg-Based Electron and Anion Sponges

scientific article published on 23 April 2018

Beryllium-based fluorenes as efficient anion sponges

scientific article published on 17 August 2017

Calculated coupling constants 1 J(X-Y) and 1 K(X-Y), and fundamental relationships among the reduced coupling constants for molecules Hm X-YHn , with X, Y ═ 1 H, 7 Li, 9 Be, 11 B, 13 C, 15 N, 17 O, 19 F, 31 P, 33 S, and 35 Cl

scientific article published on 04 April 2020

Can a Cl-H···F Hydrogen Bond Replace a Cl···F Halogen Bond? H2XP:ClY:ZH versus H2XP:ClY:HZ for Y, Z = F, Cl

scientific article published on 29 April 2019

Carbon-Carbon Bonding between Nitrogen Heterocyclic Carbenes and CO2.

scientific article published on 16 October 2017

Complexes H2 CO:PXH2 and HCO2 H : PXH2 for X=NC, F, Cl, CN, OH, CCH, CH3 , and H: Pnicogen Bonds and Hydrogen Bonds

scientific article published on 18 February 2020

Complexes of O=C=S with Nitrogen Bases: Chalcogen Bonds, Tetrel Bonds, and Other Secondary Interactions

scientific article published on 16 April 2018

Conformational aspects of polymorphs and phases of 2-propyl-1-benzimidazole

scientific article published on 14 September 2018

Cooperativity in multiple unusual weak bonds

Dual cation and anion acceptor molecules. The case of the (eta6-C6H6)(eta6C6F6)Cr0 complex.

scientific article published on 31 March 2007

Enhancing Intramolecular Chalcogen Interactions in 1-Hydroxy-8-YH-naphthalene Derivatives

scientific article published on 2 November 2017

Fluorinated indazoles as novel selective inhibitors of nitric oxide synthase (NOS): synthesis and biological evaluation

scientific article published on 6 August 2009

Fostering the Basic Instinct of Boron in Boron-Beryllium Interactions.

scientific article published on 14 March 2018

Hydrogen Bond versus Halogen Bond in Cation-Cation Complexes: Effect of the Solvent

scientific article published on 7 September 2017

Hydrogen and Halogen Bonding in Cyclic FH(4- n):FCl n Complexes, for n = 0-4.

scientific article published on 27 February 2018

Hydrogen bonds and halogen bonds in complexes of carbones L→C←L as electron donors to HF and ClF, for L = CO, N2, HNC, PH3, and SH2

scientific article published on 07 July 2020

Hydrogen-Bonding Acceptor Character of Be3, the Beryllium Three-Membered Ring

scientific article published on 10 January 2018

Iminophosphorane-substituted proton sponges. Part 5. Structures in the solid state. Correlation between solid state31P MAS NMR spectra and crystal structures

Interaction of positively and negatively charged aromatic hydrocarbons with benzene and triphenylene: Towards a model of pure organic insulators

Intermolecular proton transfer in host–guest crystals: the case of pyrazole included in 1,1-di(2,4-dimethylphenyl)but-2-yn-1-ol, an X-ray and solid-state13C/15N NMR study

Large Proton-Affinity Enhancements Triggered by Noncovalent Interactions

scientific article

Molecular structure and dynamics of C-1-adamantyl substituted N-unsubstituted pyrazoles studied by solid state NMR spectroscopy and X-ray crystallography

NMR studies of ultrafast intramolecular proton tautomerism in crystalline and amorphous n,n'-diphenyl-6-aminofulvene-1-aldimine: solid-state, kinetic isotope, and tunneling effects

scientific article published in July 2008

Potential Energy Surfaces of HN(CH)SX:CO2 for X = F, Cl, NC, CN, CCH, and H: N···C Tetrel Bonds and O···S Chalcogen Bonds

scientific article published on 12 August 2019

Sequestration of CO2 by Phosphatrane Molecules

scientific article published on 31 October 2019

Simultaneous Interaction of Tetrafluoroethene with Anions and Hydrogen-Bond Donors: A Cooperativity Study

scientific article published on 01 April 2009

Stabilisation of dianion dimers trapped inside cyanostar macrocycles

scientific article published on 06 May 2020

Symmetrization of cationic hydrogen bridges of protonated sponges induced by solvent and counteranion interactions as revealed by NMR spectroscopy.

scientific article published in February 2010

Synthesis and biological evaluation of indazole derivatives

scientific article published on 28 January 2011

Synthesis of 15 N-labelled 3,5-dimethylpyridine

scientific article published on 14 November 2019

Ternary Complexes Stabilized by Chalcogen and Alkaline-Earth Bonds: Crucial Role of Cooperativity and Secondary Noncovalent Interactions