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Rationalizing the influence of α-cationic phospholes on π-catalysis
(Royal Society of Chemistry, 2021-11)
The physical factors behind the experimentally observed high activity of gold(i)-catalysts having an α-cationic phosphole as a ligand have been computationally explored. To this end, the gold(i)-catalysed hydroarylation ...
On the Cation-π capabilities of infinitene (∞). Evaluation of bonding and circular dichroism properties for Infinitene-Ag(I)n (n = 1–4) complexes from relativistic DFT calculations
(2023-04-01)
The helicoidal π-conjugated structure from helicenes is able to feature cation-π bonding towards Ag(I) atoms, resulting in the variation of their inherent high optical rotation values. Recently, the characterization of ...
[2.2.2]Paracyclophane, preference for η6 or η18 coordination mode including Ag(I) and Sn(II) : A survey into the cation-π interaction nature through relativistic DFT calculations
(2015)
[2.2.2]Paracyclophane is a versatile π-cryptating structure, which can exhibit η2:η2:η2 and η6:η6:η6 coordination with metal ions, involving two or six carbon atoms in each aromatic ring. According to the nature of the ...
N-H...Br, Br...π and π...π interactions toward self-assembly of the cytosine hydrobromide: crystal structure, infrared spectroscopy and thermal behavior
(Elsevier BVAmsterdam, 2013-09)
The cytosine hydrobromide (CytHBr) was obtained and studied by single-crystal X-ray diffraction, FT-IR spectroscopy and thermal analysis. This salt crystallizes in the P'2IND.1/n space group with one ionic-pair CytH+Br in ...
Effect of phenols on the potentiometric response of a nitrate-ion-selective electrode
(Academic Press Inc., 2003)
The effect of phenols containing different electron-withdrawing substituents on the potentiometric responses of several liquid PVC membranes containing the complex trioctylmethylammonium-nitrate, TOMA+NO3 -, is analyzed. ...
Electronic spectra of d-ph-d’ systems. 1.aminophenol cations as isoelectronic structures of cresols
(1990)
The electronic absorption spectra and luminescent properties in the first singlet π-π* excited states of aminophenol cations in aqueous solutions are studied from a theoretical and experimental point of view. Lifetime and ...