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Infrared spectroscopy of trapped molecular dications below 4 K
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SYSNO ASEP 0422061 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Infrared spectroscopy of trapped molecular dications below 4 K Tvůrce(i) Jašík, J. (CZ)
Žabka, Ján (UFCH-W) RID, ORCID, SAI
Roithová, J. (CZ)
Gerlich, D. (DE)Zdroj.dok. International Journal of Mass Spectrometry. - : Elsevier - ISSN 1387-3806
354-355, SI (2013), s. 204-210Poč.str. 7 s. Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova Buffer gas cooling ; Dications ; Helium Vědní obor RIV CF - Fyzikální chemie a teoretická chemie Institucionální podpora UFCH-W - RVO:61388955 UT WOS 000327809900029 EID SCOPUS 84888293418 DOI 10.1016/j.ijms.2013.06.007 Anotace First results from a new ion trap instrument are presented. With this instrument, ions cab be cooled to temperatures below 4K using helium buffer gas. Low temperatures and high densities lead to efficient formation of helium-tagged ions allowing us to record infrared predissociation spectra of highly reactive species. After a short description of the instrument and its special features, the first IRPD spectrum of a small hydrocarbon dication, C7H62+, is presented. The spectral features observed between 2900 and 3200 cm(-1) indicate that this dication corresponds to doubly ionized cycloheptatrienylidene. Several DFT methods and the MP2 method are applied to study the effect of helium tagging. The results suggest that the effect of helium on the structure as well as on the IR spectrum of the dication is only minor; most probably in the range of the errors of the theoretical models. Pracoviště Ústav fyzikální chemie J.Heyrovského Kontakt Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Rok sběru 2014
Počet záznamů: 1