Details
| Original language | English |
|---|---|
| Pages (from-to) | 14115-14123 |
| Number of pages | 9 |
| Journal | Chemistry - a European journal |
| Volume | 16 |
| Issue number | 47 |
| Publication status | Published - 17 Dec 2010 |
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 14N 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
ASJC Scopus subject areas
- Chemical Engineering(all)
- Catalysis
- Chemistry(all)
- Organic Chemistry
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In: Chemistry - a European journal, Vol. 16, No. 47, 17.12.2010, p. 14115-14123.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - On the trimerization of cyanoacetylene
T2 - Mechanism of formation of tricyanobenzene isomers and laboratory detection of their radio spectra
AU - Hopf, Henning
AU - Mlynek, Cornelia
AU - McMahon, Robert J.
AU - Menke, Jessica L.
AU - Lesarri, Alberto
AU - Rosemeyer, Michael
AU - Grabow, Jens Uwe
PY - 2010/12/17
Y1 - 2010/12/17
N2 - 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 14N nuclei. The laboratory rotational spectra provide the basis for future searches for these polar aromatic compounds in interstellar space by radio astronomy.
AB - 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 14N nuclei. The laboratory rotational spectra provide the basis for future searches for these polar aromatic compounds in interstellar space by radio astronomy.
KW - astrochemistry
KW - cyanoacetylene
KW - density functional calculations
KW - quantum chemistry
KW - rotational spectroscopy
UR - http://www.scopus.com/inward/record.url?scp=78650286582&partnerID=8YFLogxK
U2 - 10.1002/chem.201001648
DO - 10.1002/chem.201001648
M3 - Article
AN - SCOPUS:78650286582
VL - 16
SP - 14115
EP - 14123
JO - Chemistry - a European journal
JF - Chemistry - a European journal
SN - 0947-6539
IS - 47
ER -