The fluoroformyloxyl radical geometry and ground-state rotational spectra of the free (FCO2)-O-18 center dot radical

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F12%3A43893212" target="_blank" >RIV/60461373:22340/12:43893212 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1063/1.3689387" target="_blank" >http://dx.doi.org/10.1063/1.3689387</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1063/1.3689387" target="_blank" >10.1063/1.3689387</a>

Jazyk výsledku

angličtina

Název v původním jazyce

The fluoroformyloxyl radical geometry and ground-state rotational spectra of the free (FCO2)-O-18 center dot radical

Popis výsledku v původním jazyce

The rotational spectra of the isotopically substituted free fluoroformyloxyl radical (FCO2)-O-18 center dot were measured using the Prague millimeter-wave high-resolution spectrometer. More than 110 rotational-fine-hyperfine transition lines were observed and assigned to appropriate quantum numbers in the frequency range of 235-270 GHz. The obtained transition frequencies were analyzed with standard effective Hamiltonians to acquire a set of precise rotational, centrifugal-distortion, fine, and hyperfine structure molecular constants. Merging the new (FCO2)-O-18 center dot isotopologue molecular parameters with those previously obtained for the ordinary (FCO2)-O-16 center dot radical, the substitution molecular geometry in the ground vibronic state wasevaluated. The molecular parameters for both radical isotopologues were also calculated by several quantum chemistry methods and their calculated mutual ratios are in remarkable agreement with the experimental (FCO2)-O-16 center dot/(FCO

Název v anglickém jazyce

The fluoroformyloxyl radical geometry and ground-state rotational spectra of the free (FCO2)-O-18 center dot radical

Popis výsledku anglicky

The rotational spectra of the isotopically substituted free fluoroformyloxyl radical (FCO2)-O-18 center dot were measured using the Prague millimeter-wave high-resolution spectrometer. More than 110 rotational-fine-hyperfine transition lines were observed and assigned to appropriate quantum numbers in the frequency range of 235-270 GHz. The obtained transition frequencies were analyzed with standard effective Hamiltonians to acquire a set of precise rotational, centrifugal-distortion, fine, and hyperfine structure molecular constants. Merging the new (FCO2)-O-18 center dot isotopologue molecular parameters with those previously obtained for the ordinary (FCO2)-O-16 center dot radical, the substitution molecular geometry in the ground vibronic state wasevaluated. The molecular parameters for both radical isotopologues were also calculated by several quantum chemistry methods and their calculated mutual ratios are in remarkable agreement with the experimental (FCO2)-O-16 center dot/(FCO

Druh

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

CEP obor

CB - Analytická chemie, separace

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2012

Kód důvěrnosti údajů

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

Název periodika

Journal of Chemical Physics

ISSN

0021-9606

e-ISSN

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Svazek periodika

136

Číslo periodika v rámci svazku

9

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

9

Strana od-do

"094309-1"-"094309-9"

Kód UT WoS článku

000301664200021

EID výsledku v databázi Scopus

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