First detection of 7.8-diazabicyclo[4.2.0]octa-1,3,5-triene produced from 3,5-cyclohexadiene-1,2-diimine in an argon matrix

First detection of 7.8-diazabicyclo[4.2.0]octa-1,3,5-triene produced from 3,5-cyclohexadiene-1,2-diimine in an argon matrix
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DOI:
10.1016/j.cplett.2004.08.038
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发表时间:
2004-10-01
影响因子:
2.8
通讯作者:
Nakata, M
Nakata, M
中科院分区:
化学4区
文献类型:
--
作者:
Ujike, K;Kudoh, S;Nakata, M

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在氩气基质中的1,2-二氨基苯暴露于来自超高压汞灯的紫外光下,通过消除氢原子,导致3,5-环己二烯-1,2-二亚胺的C=N键周围产生三种异构体。当基质样品随后被较低能量(λ> 290 nm)的UN光子照射时,除了由于从顺-反到顺-顺的光异构化引起的光谱变化之外,还观察到由反,反-3,5-环己二烯-1,2-二亚胺产生的新物种的红外光谱。通过与密度泛函理论计算得到的预测谱图的比较,确定了新的物种为7,8-二氮杂双环[4.2.0]辛-1,3,5-三烯。(C)2004 Elsevier B. V.保留所有权利。
1,2-Diaminobenzene in an argon matrix was exposed to UV light coming from a superhigh-pressure mercury lamp without optical filters, resulting in production of three isomers around the C=N bonds of 3,5-cyclohexadiene-1,2-diimine by elimination of hydrogen atoms. When the matrix sample was subsequently irradiated by a UN photon of lower energy (lambda > 290 nm), an infrared spectrum of a new species produced from trans, trans-3,5-cyclohexadiene- 1,2-diimine was observed, in addition to the spectral change due to photoisomerization from cis-trans to cis-cis. The new species was identified as 7,8-diazabicyclo[4.2.0]octa-1,3,5-triene by a comparison with the predicted spectral pattern obtained by density-functional-theory calculation. (C) 2004 Elsevier B.V. All rights reserved.