Infrared spectroscopy of trapped molecular dications below 4 K

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F13%3A10209667" target="_blank" >RIV/00216208:11310/13:10209667 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61388955:_____/13:00422061

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.ijms.2013.06.007" target="_blank" >http://dx.doi.org/10.1016/j.ijms.2013.06.007</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.ijms.2013.06.007" target="_blank" >10.1016/j.ijms.2013.06.007</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Infrared spectroscopy of trapped molecular dications below 4 K

Popis výsledku v původním jazyce

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 between2900 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.

Název v anglickém jazyce

Infrared spectroscopy of trapped molecular dications below 4 K

Popis výsledku anglicky

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 between2900 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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

—

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2013

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

International Journal of Mass Spectrometry

ISSN

1387-3806

e-ISSN

—

Svazek periodika

354-355

Číslo periodika v rámci svazku

November

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

7

Strana od-do

204-210

Kód UT WoS článku

000327809900029

EID výsledku v databázi Scopus

—