| Item type |
デフォルトアイテムタイプ_（フル）(1) |
| 公開日 |
2023-03-18 |
| タイトル |
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|
タイトル |
Inner-shell excitation spectroscopy and fragmentation of small hydrogen-bonded clusters of formic acid after core excitations at the oxygen K edge |
|
言語 |
en |
| 作成者 |
Tabayashi, Kiyohiko
Yamamoto, Keisuke
Takahashi, Osamu
Tamenori, Yusuke
Harries, James R.
Gejo, Tatsuo
Iseda, Mitsuhiro
Tamura, Takashi
Honma, Kenji
Suzuki, Isao H.
Nagaoka, Shin-ichi
Ibuki, Toshio
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| アクセス権 |
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|
アクセス権 |
open access |
|
アクセス権URI |
http://purl.org/coar/access_right/c_abf2 |
| 権利情報 |
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|
権利情報 |
Copyright (c) 2006 American Institute of Physics. |
| 主題 |
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主題Scheme |
Other |
|
主題 |
organic compounds |
| 主題 |
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主題Scheme |
Other |
|
主題 |
molecular clusters |
| 主題 |
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|
主題Scheme |
Other |
|
主題 |
hydrogen bonds |
| 主題 |
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|
主題Scheme |
Other |
|
主題 |
dissociation |
| 主題 |
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主題Scheme |
Other |
|
主題 |
time of flight mass spectra |
| 主題 |
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|
主題Scheme |
Other |
|
主題 |
spectrochemical analysis |
| 主題 |
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|
主題Scheme |
Other |
|
主題 |
chemical exchanges |
| 主題 |
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主題Scheme |
Other |
|
主題 |
spectral line shift |
| 主題 |
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|
主題Scheme |
Other |
|
主題 |
red shift |
| 主題 |
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主題Scheme |
Other |
|
主題 |
reaction kinetics |
| 内容記述 |
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内容記述 |
Inner-shell excitation spectra and fragmentation of small clusters of formic acid have been studied in the oxygen K -edge region by time-of-flight fragment mass spectroscopy. In addition to several fragment cations smaller than the parent molecule, we have identified the production of HCOOH H+ and H3 O+ cations characteristic of proton transfer reactions within the clusters. Cluster-specific excitation spectra have been generated by monitoring the partial ion yields of the product cations. Resonance transitions of O1s (C==O/OH) electrons into π CO* orbital in the preedge region were found to shift in energy upon clusterization. A blueshift of the O1s (C==O) → π CO* transition by ∼0.2 eV and a redshift of the O1s (OH) → π CO* by ∼0.6 eV were observed, indicative of strong hydrogen-bond formation within the clusters. The results have been compared with a recent theoretical calculation, which supports the conclusion that the formic-acid clusters consist of the most stable cyclic dimer andor trimer units. Specifically labeled formic acid- d, HCOOD, was also used to examine the core-excited fragmentation mechanisms. These deuterium-labeled experiments showed that HD O+ was formed via site-specific migration of a formyl hydrogen within an individual molecule, and that H D2 O+ was produced via the subsequent transfer of a deuterium atom from the hydroxyl group of a nearest-neighbor molecule within a cationic cluster. Deuteron (proton) transfer from the hydroxyl site of a hydrogen-bond partner was also found to take place, producing deuteronated HCOOD D+ (protonated HCOOH H+) cations within the clusters. |
|
言語 |
en |
| 出版者 |
|
|
出版者 |
American Institute of Physics |
| 言語 |
|
|
言語 |
eng |
| 資源タイプ |
|
|
資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
|
資源タイプ |
journal article |
| 出版タイプ |
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|
出版タイプ |
VoR |
|
出版タイプResource |
http://purl.org/coar/version/c_970fb48d4fbd8a85 |
| 関連情報 |
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識別子タイプ |
DOI |
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|
関連識別子 |
10.1063/1.2387949 |
| 関連情報 |
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|
識別子タイプ |
DOI |
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|
関連識別子 |
http://dx.doi.org/10.1063/1.2387949 |
| 収録物識別子 |
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収録物識別子タイプ |
ISSN |
|
収録物識別子 |
0021-9606 |
| 収録物識別子 |
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|
収録物識別子タイプ |
NCID |
|
収録物識別子 |
AA00694991 |
| 開始ページ |
|
|
開始ページ |
194307-1 |
| 書誌情報 |
Journal of Chemical Physics
Journal of Chemical Physics
巻 125,
号 19,
p. 194307-1-194307-10,
発行日 2006-11-16
|
| 旧ID |
18825 |
JChemPhys_125_194307.pdf (775.2 KB)
