1987 Fiscal Year Final Research Report Summary
The new compounds generated by a pyrolysis and their reaction processes.
| Project/Area Number |
61470017
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| Research Category |
Grant-in-Aid for General Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Research Field |
構造化学
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| Research Institution | Sophia University |
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Principal Investigator |
OSAMU OHASHI Faculty of Science and Technology, Sophia University, 理工学部, 教授 (80053627)
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| Co-Investigator(Kenkyū-buntansha) |
TAKESHI SAKAIZUMI Faculty of Science and Technology, Sophia University, 理工学部, 助手 (20053671)
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| Project Period (FY) |
1986 – 1987
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| Keywords | Pyrolysis / Chemical decomposition by heat / Reaction process(mechanism) / Unstable molecule / Microwave spectrum / マイクロ波スペクトル / マススペクトル |
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| Research Abstract |
1. The pyrolysis instrumetn consisted of reaction cell and electric furnace was directly connected to a microwave and mass spectrometer to detect the resulting products generated by a pyrolysis and observe their rotational spectra.
2. The microwave spectra of the products generated by the pyrolysis of 1H-bezotriazole and its deuterated derivative have been observed and assigned to two isomers of cyclopentadiene-1-carbonitrile and their deuterated derivatives. The reaction process given below can reasonably lead to the resulting products.
3. The products generated by the pyrolysis of 4- or 5-methyl-1H-benzotriazole at ca. 600 ゜C and 800 ゜C, using the pyrolysis system consisted of the two reaction cells connected straightforwardly, have led to the following scheme. The resulting products at ca. 600 ゜C are two isomers of methyl-1,3-cyclopentadiene-1-carbonitrle,(KA) and (KA),which are changed into 1,3- or 1,4-cyclopentadiene,(KA) and (KA), and benzonitrile at ca. 800 ゜C. The finding of 1,4-cyclopentadiene as a resulting product has suggested that a hydrogen atom or cyanide group moves around in a five-membered ring. Benzonitrile generated from five-membered ring compounds with a methyl group has shown that the methyl goup plays an important part in changing into a six- membered ring compound. This result has been supported by the fact that the pyrolysis of 5-chloro-1H-benzotriazole at ca. 800 ゜C does not lead to benzonitrile but to 1,3- or 1,4-cyclopentadiene- 1-carbonitrile.
4. Using the flow reaction system directly connected to a microwave and mass spectrometer, an unstable ethyl cyanate has been produced from O-ethyl thiocarbamate and mercury oxide to be detected by a mass and microwave spectrometer. The analysis of the rotational spectrum has led to the molecular constants and the determination of the molecular structure.
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