Verification of NEXAFS assignments by a comparison of fragmentation between gaseous and condensed methyl formate

Ikeura-Sekiguchi, Hiromi; Sekiguchi, Takuya; Saitô, Norio; Suzuki, Isao

doi:10.1107/s0909049500017143

Cited by 3 publications

(2 citation statements)

References 6 publications

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“…However, despite some photoabsorption studies in the X‐ray range (Ishii & Hitchcock 1988) there are few studies focusing on the photodissociation pathways in this photon energy range (e.g. Ikeura‐Sekiguchia et al 2001 using DCOOCH 3 ). Besides the photochemistry, the interaction between various atoms and molecules is also very important in chemistry.…”

Section: Introductionmentioning

confidence: 99%

Photodissociation of methyl formate in circumstellar environment: stability under soft X-rays

Fantuzzi

Pilling

Santos

et al. 2011

Monthly Notices of the Royal Astronomical Society

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The methyl formate molecule (HCOOCH3) is one of the most abundant molecules observed in hot molecular cores. Together with acetic acid and the sugar glycolaldehyde, these C2H4O2 molecules are the first triad of isomers detected in interstellar clouds. However, the observations point to a high enhancement in the abundance of methyl formate, which can reach up to 100 times the amount of its second abundant isomer, acetic acid. The observational abundance difference between these isomers has been subject of several works, invoking different formation pathways or survival rates. In this work we present an experimental and theoretical study of photoionization and photodissociation processes of HCOOCH3, to point out clues about its survival to high‐energy photons observed in some interstellar environments. In order to obtain the most stable C2H4O2 cations and dications dissociation pathways, spectroscopic and computational methods were used. The measurements were taken employing soft X‐ray photons with energies around carbon 1s and oxygen 1s resonances, while the calculations were performed at B3LYP/cc‐pVDZ level, at the experimental pressure and temperature. Mass spectra of the photoproduced fragments were obtained using photoelectron photoion coincidence method. The main photodissociation channels are in agreement with the most favourable calculated pathways. Photoionization and photodissociation cross‐sections were also determined. The results suggest that the observed high abundance of methyl formate could not be attributed to photodissociation processes.

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Section: Introductionmentioning

confidence: 99%

Photodissociation of methyl formate in circumstellar environment: stability under soft X-rays

Fantuzzi

Pilling

Santos

et al. 2011

Monthly Notices of the Royal Astronomical Society

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“…Initiating processes are clearly the same as those studied in atomic physics or photochemistry [14]. In a recent near-edge X-ray absorption fine structure (NEXAFS) spectroscopic study, it was found that gas-phase and condensed systems show more or less similarities in their fragment-ion yield curves [15].…”

Section: Introductionmentioning

confidence: 77%

Applications of ionization spectroscopy to study small bio-molecules

Wang

2008

J. Phys.: Conf. Ser.

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Ionization potential provides a useful quantum mechanical diagnostic for the oxidative potential of a molecule. However, to accurately predict the ionization binding energy spectra for even small biomolecules using relatively simple models is still a challenge in theoretical spectroscopy. In the progress report, recent progresses targeting core and valence binding energy spectroscopy of small bio-molecules, such as amino acids and DNA/RNA bases and their fragments, are discussed using density functional theory based models.

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