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Pregled bibliografske jedinice broj: 447092

Characterization of the Triple Ion [(CH3)4N+ . PF6- . (CH3)4N+] in the Gas Phase

Schroeder, Detlef; Duchačkova, Lucie; Jušinski, Iva; Eckert-Maksić, Mirjana; Heyda, Jan; Tuma, Lukaš; Jungwirth, Pavel
Characterization of the Triple Ion [(CH3)4N+ . PF6- . (CH3)4N+] in the Gas Phase // Chemical physics letters, 490 (2010), 1/3; 14-18 doi:10.1016/j.cplett.2010.03.019 (međunarodna recenzija, članak, znanstveni)

Characterization of the Triple Ion [(CH3)4N+ . PF6- . (CH3)4N+] in the Gas Phase

Schroeder, Detlef ; Duchačkova, Lucie ; Jušinski, Iva ; Eckert-Maksić, Mirjana ; Heyda, Jan ; Tuma, Lukaš ; Jungwirth, Pavel

Chemical physics letters (0009-2614) 490 (2010), 1/3; 14-18

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Ab initio calculations; infrared spectroscopy; ion pairing; mass spectrometry; tetramethylammonium

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.

Izvorni jezik

Znanstvena područja


Projekt / tema
098-0982933-2920 - Organski i bioorganski procesi u osnovnom i elektronski pobuđenim stanjima (Mirjana Maksić, )

Institut "Ruđer Bošković", Zagreb

Časopis indeksira:

  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus