RT Journal Article
T1 Influence of the Nature of Group 15 Element on [AuI]−C≡E/Azide 1,3-Dipolar Cycloaddition Reaction
A1 González Pinardo, Daniel
A1 Fernández López, Israel
AB The impact of the nature of the Group 15 element on both the bonding situation and the reactivity of gold(I)-C ≡ E (E = N to Bi) complexes has been studied quantum chemically within the density theory functional framework. For this purpose, the 1,3-dipolar cycloaddition reaction involving tBuN3 as dipole has been selected and its main features, including the regioselectivity of the transformation and the in-plane aromaticity of the corresponding transition structures, have been investigated. It is found that the reactivity of the complexes is increased as one moves down Group 15 (N ≪ P < As < Sb < Bi). This reactivity trend has been rationalized by using the combined activation strain model and energy decomposition analysis methods, which indicate that the process is mainly dominated by the strain energy required by the reactants to reach the corresponding transition state geometries.
PB ACS
YR 2025
FD 2025-03-12
LK https://hdl.handle.net/20.500.14352/120496
UL https://hdl.handle.net/20.500.14352/120496
LA eng
NO González-Pinardo, D.; Fernández, I. Influence of the Nature of Group 15 Element on [AuI ]–C≡E/Azide 1,3-Dipolar Cycloaddition Reaction. Inorg. Chem. 2025, 64 (11), 5628–5636. https://doi.org/10.1021/acs.inorgchem.5c00110.
NO This work was supported by the Spanish MCIN/AEI/10.13039/501100011033 (Grants PID2022-139318NB-I00 and RED2022-134287-T). D.G.-P. acknowledges the Comunidad de Madrid for a predoctoral fellowship.
NO Ministerio de Ciencia, Innovación y Universidades (España)
NO Comunidad de Madrid
DS Docta Complutense
RD 20 dic 2025