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Diphenylammonium cation

Fig. 31.1 Hi2NIl2 the lowest isomers of the diphenylammonium cation 18 dibenzo-18-crown-6 ether top and side view) 18A and 18B the lowest isomers of the dibenzo-18-crown-6 ether of MleiDN-methylpyrrolidine BSSE corrected energy differences from the most stable structure are shown in the gas phase (in CHCI3 solvent) at the M06-2X/6-31G(d,p) level of theory... Fig. 31.1 Hi2NIl2 the lowest isomers of the diphenylammonium cation 18 dibenzo-18-crown-6 ether top and side view) 18A and 18B the lowest isomers of the dibenzo-18-crown-6 ether of MleiDN-methylpyrrolidine BSSE corrected energy differences from the most stable structure are shown in the gas phase (in CHCI3 solvent) at the M06-2X/6-31G(d,p) level of theory...
The complexes of dibenzo-18-crown-6 ether and of dibenzo-18-crown-6 ether of fulleroN-methylpyrrolidine with the diphenylammonium cation, PhaNHj, and its derivative with r-extended tetrathiafulvalene, r-exTTF, were investigated by employing density functional theory. We calculated geometries, complexation energies and some absorption spectra of the lowest energetic minima of the above complexes in the gas phase as well as in CHCI3 solvent. A summary of our main results follows ... [Pg.608]

See other pages where Diphenylammonium cation is mentioned: [Pg.599]    [Pg.600]    [Pg.600]    [Pg.601]    [Pg.604]    [Pg.605]    [Pg.599]    [Pg.600]    [Pg.600]    [Pg.601]    [Pg.604]    [Pg.605]    [Pg.26]   
See also in sourсe #XX -- [ Pg.600 , Pg.601 , Pg.602 , Pg.603 , Pg.604 , Pg.608 ]



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