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Regium-π vs Cation-π Interactions in M2 and MCl (M = Cu, Ag and Au) Complexes with Small Aromatic Systems: An ab Initio Study

In this study we have theoretically analyzed (RI-MP2/def2-TZVP) the ability of metal moieties involving elements from group IB (Cu, Ag and Au) to establish either regium-π or cation-π interactions with π-systems of different electronic nature. More precisely, we have used M2 (oxidation stat...

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Principais autores: Antonio Bauzá, Antonio Frontera
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2018-06-01
Serier:Inorganics
Fag:
Regium-π bond
Cation-π interactions
ab initio study
MEP analysis
AIM analysis
NBO calculations
Online adgang:http://www.mdpi.com/2304-6740/6/3/64
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