Characterization of the Triple Ion [(CH3)4N+ . PF6- . (CH3)4N+] in the Gas Phase (CROSBI ID 159460)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Schroeder, Detlef ; Duchačkova, Lucie ; Jušinski, Iva ; Eckert-Maksić, Mirjana ; Heyda, Jan ; Tuma, Lukaš ; Jungwirth, Pavel
engleski
Characterization of the Triple Ion [(CH3)4N+ . PF6- . (CH3)4N+] in the Gas Phase
The triple ion [(CH3)4N+ . PF6- . (CH3)4N+], generated by electrospray ionization of tetramethylammonium hexafluorophosphate, is characterized by collision-induced dissociation and infrared spectroscopy of the mass-selected gaseous ion in the range from 1000 to 2000 cm-1. Quantum chemical calculations are used to elucidate the structures and energetics of the triple ion and its subunits and for the assignement of the infrared frequencies. The infrared bands observed in the gas-phase match quite closely with those of the bulk substance, suggesting that for this particular kind of ion associate the structural differences between gas phase and the condensed state are almost negligible.
ab initio calculations ; infrared spectroscopy ; ion pairing ; mass spectrometry ; tetramethylammonium
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Podaci o izdanju
490 (1-3)
2010.
14-18
objavljeno
0009-2614
1873-4448
10.1016/j.cplett.2010.03.019