| Item type |
学術雑誌論文 / Journal Article(1) |
| 公開日 |
2023-03-07 |
| タイトル |
|
|
タイトル |
The ν2 bending vibrational structure of the X˜2Σ+ state of MgNC |
| 言語 |
|
|
言語 |
eng |
| キーワード |
|
|
主題 |
Fluorescence spectra |
| キーワード |
|
|
主題 |
Isomerization |
| キーワード |
|
|
主題 |
Laser induced fluorescence |
| キーワード |
|
|
主題 |
Wave functions |
| キーワード |
|
|
主題 |
Parity |
| 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 |
| 著者 |
FUKUSHIMA, Masaru
ISHIWATA, Takashi
福島, 勝
石渡, 孝
|
| 抄録 |
|
|
内容記述タイプ |
Abstract |
|
内容記述 |
We have generated MgNC in supersonic free jet expansions and observed the laser induced fluorescence(LIF) of the A˜2 – X˜2Σ+ transition. We measured the LIF dispersed spectra from the single vibronic levels of the A˜ 2Π electronic state of MgNC, following excitation of each ν2 bending vibronic band observed, i.e., the κ series of the (0,v′2,0)–(0,0,0), v′2 = 0, 1, 2, 4, and 6 vibronic bands. In the vibrational structure in the dispersed fluorescence spectra measured, the long progression of the ν2 bending mode in the X˜2Σ+ state is identified, e.g., up to v''2=14 in the (0,6,0)–(0,v''2,0) spectrum. This enables us to derive the potential curve of the ν2 bending mode in the X˜2Σ+ state. We used two kinds of models to obtain the potential curve; (I) the customary formula expressed in the polynomial series of the (v''2+(d2/2)) term and (II) the internal rotation model. The potential curve derived from model (I) indicates the convergence of the bending vibrational levels at about 800 cm−1 from the vibrationless level of MgNC, which may correspond to the barrier height of the isomerization reaction, MgNC ⇌ MgCN, in the X˜2Σ+ state. Model (II) gives a simple picture for the isomerization reaction pathway with a barrier height of about 630 cm−1 from the vibrationless level of the more stable species, MgNC. This shows that the v''2=8 bending vibrational level of MgNC is already contaminated by the v''2=2 bending vibrational level of the isomer, MgCN, and implies that the isomerization reaction begins at the v''2=8 level. The bending potential surface and the isomerization reaction pathway, MgNC ⇌ MgCN, in the X˜2Σ+ state are discussed by comparing the potential derived in this study with the surface obtained by quantum chemical calculation. |
| 内容記述 |
|
|
内容記述タイプ |
Other |
|
内容記述 |
This research was partially supported by the Ministry of Education, Science, Sports and Culture, Grant-in-Aid for Scientific Research (C), 16510078, 2004 and by Hiroshima City University Grant for Special Academic Research (General Studies), 1102. |
| 書誌情報 |
The Journal of Chemical Physics
巻 135,
号 12,
p. 124311-1-124311-11,
発行日 2011-09-28
|
| 出版者 |
|
|
出版者 |
American Institute of Physics |
| ISSN |
|
|
収録物識別子タイプ |
ISSN |
|
収録物識別子 |
0021-9606 |
| 書誌レコードID |
|
|
収録物識別子タイプ |
NCID |
|
収録物識別子 |
AA00694991 |
| DOI |
|
|
関連タイプ |
isIdenticalTo |
|
|
識別子タイプ |
DOI |
|
|
関連識別子 |
info:doi/10.1063/1.3640024 |
| 権利 |
|
|
権利情報 |
Copyright 2011 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.The following article appeared in J. Chem. Phys. 135, 124311 (2011) and may be found at http://dx.doi.org/10.1063/1.3640024. |
| 関連サイト |
|
|
|
識別子タイプ |
DOI |
|
|
関連識別子 |
http://dx.doi.org/10.1063/1.3640024 |
|
|
関連名称 |
http://dx.doi.org/10.1063/1.3640024 |
| フォーマット |
|
|
内容記述タイプ |
Other |
|
内容記述 |
application/pdf |
| 著者版フラグ |
|
|
出版タイプ |
VoR |
|
出版タイプResource |
http://purl.org/coar/version/c_970fb48d4fbd8a85 |
JCP135_124311.pdf (494.8 kB)
