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The Helicenes: Potential Carriers of Diffuse Interstellar Bands
ACS Earth and Space Chemistry ( IF 2.9 ) Pub Date : 2021-01-22 , DOI: 10.1021/acsearthspacechem.0c00235 Jorge O. Oña-Ruales 1 , Yosadara Ruiz-Morales 2 , Fernando Alvarez-Ramírez 2
ACS Earth and Space Chemistry ( IF 2.9 ) Pub Date : 2021-01-22 , DOI: 10.1021/acsearthspacechem.0c00235 Jorge O. Oña-Ruales 1 , Yosadara Ruiz-Morales 2 , Fernando Alvarez-Ramírez 2
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In this work, the helicenes are postulated as potential carriers of the diffuse interstellar bands, DIBs. The helicenes are nonplanar cata-condensed molecules structurally related to the polyacenes, and polyacenes have been already proposed as conceivable carriers of the DIBs. In here, the possible identity of the carrier of the DIB at 4502 Å is studied and potentially identified as a cata-condensed helicene using spectroscopic, statistical, and stability methods. First, statistic and spectroscopic information allow the fitting of the regression equation that governs the variation of the location of the published absorbance p-bands as a function of the number of fused aromatic rings (nFAR) for planar and helical cata-condensed polycyclic aromatic hydrocarbons with 1–14 FAR, and the application of this equation to establish the identity of the possible carrier of the 4502 Å DIB, that is, [26]helicene (C106H56). The difference between the calculated location of the p-band from the fitted equation and the DIB location under study is equal to 0.21%. Subsequently, an aromaticity argument demonstrates the presence of π-delocalizing benzene effect in helicenes with the general formula C2+4NH2N+4, for example, [26]helicene, that would theoretically provide supplementary stability to the molecule to justify its occurrence. Finally, a feasible mechanism of formation of helicenes in the interstellar medium is proposed that involves successive additions of n-butane units to a phenanthrene moiety. To the best of our knowledge, this is the first report about the possible presence of cata-condensed helical molecules in the DIBs and the first study that theorizes that [26]helicene is the possible carrier of the DIB at 4502 Å.
中文翻译：
螺旋星：弥散星际带的潜在载体
在这项工作中，假定螺旋星是星际弥散带DIB的潜在载体。螺旋烯是在结构上与聚并苯有关的非平面催化缩合分子，并且已经提出将聚并苯作为DIB的可能载体。在这里，研究了DIB载体在4502Å处的可能身份，并使用光谱，统计和稳定性方法将其潜在地鉴定为催化缩合的螺旋烯。首先，统计信息和光谱信息允许拟合回归方程，该回归方程控制已公开的吸光度p带的位置随平面和螺旋催化结构的稠合芳环（nFAR）数量的变化缩合的多环芳香烃，具有1–14 FAR，并应用该方程式确定4502ÅDIB的可能载体，即[26] hel烯（C 106 H 56）的身份。根据拟合方程计算出的p带位置与所研究的DIB位置之间的差等于0.21％。随后，一个芳香性论证证明了通式为C 2 + 4 N H 2 N +4的螺旋油中存在π-离域苯效应。，例如[26]螺旋，理论上可以为分子提供补充稳定性，以证明其存在。最后，提出了一种在星际介质中形成螺旋烯的可行机制，该机制涉及将正丁烷单元相继添加至菲部分。据我们所知，这是第一个关于DIB中可能存在催化缩合螺旋分子的报道，也是第一个理论证明[26] hel烯是DIB在4502Å时可能的载体的研究。
更新日期：2021-02-18
中文翻译：
螺旋星：弥散星际带的潜在载体
在这项工作中，假定螺旋星是星际弥散带DIB的潜在载体。螺旋烯是在结构上与聚并苯有关的非平面催化缩合分子，并且已经提出将聚并苯作为DIB的可能载体。在这里，研究了DIB载体在4502Å处的可能身份，并使用光谱，统计和稳定性方法将其潜在地鉴定为催化缩合的螺旋烯。首先，统计信息和光谱信息允许拟合回归方程，该回归方程控制已公开的吸光度p带的位置随平面和螺旋催化结构的稠合芳环（nFAR）数量的变化缩合的多环芳香烃，具有1–14 FAR，并应用该方程式确定4502ÅDIB的可能载体，即[26] hel烯（C 106 H 56）的身份。根据拟合方程计算出的p带位置与所研究的DIB位置之间的差等于0.21％。随后，一个芳香性论证证明了通式为C 2 + 4 N H 2 N +4的螺旋油中存在π-离域苯效应。，例如[26]螺旋，理论上可以为分子提供补充稳定性，以证明其存在。最后，提出了一种在星际介质中形成螺旋烯的可行机制，该机制涉及将正丁烷单元相继添加至菲部分。据我们所知，这是第一个关于DIB中可能存在催化缩合螺旋分子的报道，也是第一个理论证明[26] hel烯是DIB在4502Å时可能的载体的研究。
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