Hunting for interstellar molecules: rotational spectra of reactive species

被引:9
|
作者
Puzzarini, Cristina [1 ]
Alessandrini, Silvia [1 ]
Bizzocchi, Luca [1 ]
Melosso, Mattia [1 ]
机构
[1] Univ Bologna, Dept Chem Giacomo Ciamician, ROT&Comp Lab, Via F Selmi 2, I-40126 Bologna, Italy
关键词
GAUSSIAN-BASIS SETS; CONSISTENT BASIS-SETS; MICROWAVE SPECTROSCOPY; EQUILIBRIUM STRUCTURE; BORON; LIMIT; PARAMETERS; PYROLYSIS; ACCURACY; SULFUR;
D O I
10.1039/d3fd00052d
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Interstellar molecules are often highly reactive species, which are unstable under terrestrial conditions, such as radicals, ions and unsaturated carbon chains. Their detection in space is usually based on the astronomical observation of their rotational fingerprints. However, laboratory investigations have to face the issue of efficiently producing these molecules and preserving them during rotational spectroscopy measurements. A general approach for producing and investigating unstable/reactive species is presented by means of selected case-study molecules. The overall strategy starts from quantum-chemical calculations that aim at obtaining accurate predictions of the missing spectroscopic information required to guide spectral analysis and assignment. Rotational spectra of these species are then recorded by exploiting the approach mentioned above, and their subsequent analysis leads to accurate spectroscopic parameters. These are then used for setting up accurate line catalogs for astronomical searches.
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页码:309 / 326
页数:18
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