Puzzarini Cristina, Barone Vincenzo
Dipartimento di Chimica "Giacomo Ciamician", University of Bologna, via F. Selmi 2, I-40126 Bologna, Italy.
Scuola Normale Superiore, Piazza dei Cavalieri 7, Pisa, I-56126, Italy.
Phys Chem Chem Phys. 2020 Mar 25;22(12):6507-6523. doi: 10.1039/d0cp00561d.
While it is now well demonstrated that the interstellar medium (ISM) is characterized by a diverse and complex chemistry, a significant number of features in radioastronomical spectra are still unassigned and call for new laboratory efforts, which are increasingly based on integrated experimental and computational strategies. In parallel, the identification of an increasing number of molecules containing more than five atoms and at least one carbon atom (the so-called "interstellar" complex organic molecules), which can play a relevant role in the chemistry of life, raises the additional issue of how these species can be produced in the typical harsh conditions of the ISM. On these grounds, this perspective aims to present an integrated rotational spectroscopy - quantum chemistry approach for supporting radioastronomical observations and a computational strategy for contributing to the elucidation of chemical reactivity in the interstellar space.
虽然现在已经充分证明星际介质（ISM）具有多样而复杂的化学特征，但射电天文光谱中的大量特征仍未得到归属，需要新的实验室研究，这些研究越来越基于综合的实验和计算策略。与此同时，越来越多含有五个以上原子且至少有一个碳原子的分子（即所谓的“星际”复杂有机分子）被识别出来，这些分子可能在生命化学中发挥重要作用，这就引发了另一个问题，即这些物种如何在星际介质典型的恶劣条件下产生。基于这些理由，本观点旨在提出一种用于支持射电天文观测的综合旋转光谱 - 量子化学方法，以及一种有助于阐明星际空间化学反应性的计算策略。
