Anionic Polymerization Mechanism of Acrylonitrile Trimer Anions : Key Branching Point between Cyclization and Chain Propagation
Journal of Physical Chemistry A 116 巻 30 号
7937-7942 頁
2012-08-02 発行
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| ファイル情報(添付) | |
| タイトル ( eng ) |
Anionic Polymerization Mechanism of Acrylonitrile Trimer Anions : Key Branching Point between Cyclization and Chain Propagation
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| 作成者 |
Ohshimo Keijiro
Ohno Koichi
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| 収録物名 |
Journal of Physical Chemistry A
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| 巻 | 116 |
| 号 | 30 |
| 開始ページ | 7937 |
| 終了ページ | 7942 |
| 抄録 |
A cluster anion of vinyl compounds in the gaseous phase has served as one of the simplest microscopic models of the initial stages of anionic polymerization. Herein, we describe our investigations into the initial stage mechanisms of anionic polymerization of acrylonitrile (AN; CH2=CHCN) trimer anions. While the cyclic oligomer is found in mass and photoelectron spectroscopic studies of (AN)3-, only the chain oligomer is found in the infrared photodissociation (IRPD) spectrum of Ar-tagged (AN)3-. Based on the calculated polymerization pathway of (AN)3-, we consider that the chain oligomers are the reaction intermediates in the cyclization of (AN)3-. The rotational isomerization of the (AN)3- chain oligomer is found to be the bottleneck in the cyclization of (AN)3-. To form the (AN)4- chain oligomer by chain propagation, the addition of an AN molecule to (AN)3- should occur prior to the rotational isomerization. We conclude that the rotational isomerization in the (AN)3- chain oligomer is the key branching point between cyclization (termination) or chain propagation in the anionic polymerization.
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| 著者キーワード |
Intracluster reaction
cluster anions
infrared spectroscopy
reaction pathway
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| 内容記述 |
This is a preprint of an article published by American Chemical Society in Journal of Physical Chemistry A, 2012, available online: http://pubs.acs.org/doi/abs/10.1021/jp305291r.
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| NDC分類 |
化学 [ 430 ]
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| 言語 |
英語
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| 資源タイプ | 学術雑誌論文 |
| 出版者 |
American Chemical Society
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| 発行日 | 2012-08-02 |
| 権利情報 |
Copyright (c) 2012 American Chemical Society
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| 出版タイプ | Author’s Original（十分な品質であるとして、著者から正式な査読に提出される版） |
| アクセス権 | オープンアクセス |
| 収録物識別子 |
[ISSN] 1089-5639
[DOI] 10.1021/jp305291r
[DOI] http://dx.doi.org/10.1021/jp305291r
～の異版である
[PMID] 22775348
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