On the trimerization of cyanoacetylene: mechanism of formation of tricyanobenzene isomers and laboratory detection of their radio spectra |
| |
| Authors: | Hopf Henning Mlynek Cornelia McMahon Robert J Menke Jessica L Lesarri Alberto Rosemeyer Michael Grabow Jens-Uwe |
| |
| Institution: | 1. Institut für Organische Chemie, Technische Universit?t Braunschweig, Hagenring 30, 38106 Braunschweig (Germany), Fax: (+49)?531‐391‐5388;2. Department of Chemistry, University of Wisconsin, 1101 University Ave., Madison, WI, 53706‐1322 (USA), Fax: (+1)?608‐263‐5549;3. Departamento de Química Física y Química Inorgánica, Facultad de Ciencias, Universidad de Valladolid, 47011 Valladolid (Spain);4. Institut für Physikalische Chemie und Elektrochemie, Leibniz‐Universit?t Hannover, Callinstrasse 3A, 30167 Hannover (Germany), Fax: (+49)?511‐762 4009 |
| |
| Abstract: | In support of a deeper understanding of the chemistry of cyanoacetylene--a known constituent of planetary atmospheres and interstellar space--theoretical and experimental studies address the chemical mechanism of dimerization and trimerization, and provide high-resolution rotational spectra of two of the trimeric products, 1,2,3- and 1,2,4-tricyanobenzene. Analysis of the rotational spectra is particularly challenging because of quadrupolar coupling from three (14)N nuclei. The laboratory rotational spectra provide the basis for future searches for these polar aromatic compounds in interstellar space by radio astronomy. |
| |
| Keywords: | astrochemistry cyanoacetylene density functional calculations quantum chemistry rotational spectroscopy |
| 本文献已被 PubMed 等数据库收录！ |
|
