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The Production and Potential Detection of Hexamethylenetetramine-Methanol in Space.
Astrobiology ( IF 4.2 ) Pub Date : 2020-04-30 , DOI: 10.1089/ast.2019.2147
Christopher K Materese 1, 2, 3 , Michel Nuevo 1, 2 , Scott A Sandford 1 , Partha P Bera 1, 2 , Timothy J Lee 4
Affiliation  

Numerous laboratory studies of astrophysical ice analogues have shown that their exposure to ionizing radiation leads to the production of large numbers of new, more complex compounds, many of which are of astrobiological interest. We show here that the irradiation of astrophysical ice analogues containing H2O, CH3OH, CO, and NH3 yields quantities of hexamethylenetetramine-methanol (hereafter HMT-methanol; C7N4H14O) that are easily detectible in the resulting organic residues. This molecule differs from simple HMT, which is known to be abundant in similar ice photolysis residues, by the replacement of a peripheral H atom with a CH2OH group. As with HMT, HMT-methanol is likely to be an amino acid precursor. HMT has tetrahedral (Td) symmetry, whereas HMT-methanol has C1 symmetry. We report the computed expected infrared spectra for HMT and HMT-methanol obtained using ab initio quantum chemistry methods and show that there is a good match between the observed and computed spectra for regular HMT. Since HMT-methanol lacks the high symmetry of HMT, it produces rotational transitions that could be observed at longer wavelengths, although establishing the exact positions of these transitions may be challenging. It is likely that HMT-methanol represents an abundant member of a larger family of functionalized HMT molecules that may be present in cold astrophysical environments.

中文翻译:

太空中六亚甲基四胺-甲醇的生产和潜在检测。

对天体物理冰类似物的大量实验室研究表明,它们暴露于电离辐射下会导致产生大量新的,更复杂的化合物,其中许多化合物具有天文生物学的意义。我们在这里表明,辐照含有H 2 O,CH 3 OH,CO和NH 3的天体冰类似物会产生大量的六亚甲基四胺-甲醇(以下称HMT-甲醇; C 7 N 4 H 14 O),这很容易在产生的有机残留物。该分子不同于简单的HMT,后者通过用CH 2代替周围的H原子而在大量类似的冰光解残基中含量丰富。OH组。与HMT一样,HMT-甲醇很可能是氨基酸的前体。HMT具有四面体(T d)对称性,而HMT-甲醇具有C 1对称性。我们报告从头算获得的HMT和HMT-甲醇的计算预期红外光谱量子化学方法,表明常规HMT的观测光谱和计算光谱之间存在良好的匹配。由于HMT-甲醇缺乏HMT的高度对称性,因此它会产生可在更长波长下观察到的旋转跃迁,尽管确定这些跃迁的确切位置可能具有挑战性。HMT甲醇很可能代表了寒冷天体环境中可能存在的功能化HMT分子大家族中的丰富成员。
更新日期:2020-04-30
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