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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Photolysis of Astrophysically Relevant Acrylonitrile: A Matrix Experimental Study
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Photolysis of Astrophysically Relevant Acrylonitrile: A Matrix Experimental Study

机译：与天体相关的丙烯腈的光解：基质实验研究

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摘要

This report documents the photochemical study of H_2C=C(H)CN (acrylonitrile) trapped in low-temperature argon matrices and irradiated with a microwave-discharge hydrogen-flow lamp (λ > 120 nm). We succeeded in identifying H_2CC(H)NC (isoacrylonitrile) as a photoproduct. HC_3N (cyanoacetylene), C_2H_2:HCN (acetylene:hydrogen cyanide), and C_2H_2:HNC (acetylene: hydrogen isocyanide) complexes, which are molecules detected in molecular clouds or in the Titan atmosphere, were also identified. No imine product was observed, but other compounds coming from the HC_3N photolysis have been found. Fourier transform infrared measurements and ~2H substitution experiments coupled with density functional theory calculations (B3LYP/6-31G**) were performed to confirm the spectral assignments of the photochemical products and intermediate species.
机译：该报告记录了H_2C = C（H）CN（丙烯腈）在低温氩气基质中捕获并用微波放电氢流灯（λ> 120 nm）照射的光化学研究。我们成功鉴定出H_2CC（H）NC（异丙烯腈）为光产物。还鉴定了在分子云或泰坦大气中检测到的分子HC_3N（氰基乙炔），C_2H_2：HCN（乙炔：氰化氢）和C_2H_2：HNC（乙炔：异氰酸​​氢）络合物。没有观察到亚胺产物，但是发现了来自HC_3N光解的其他化合物。进行了傅里叶变换红外测量和〜2H替代实验以及密度泛函理论计算（B3LYP / 6-31G **），以确认光化学产物和中间体的光谱分配。

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