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C54 N6, a potentially aromatic molecule

✍ Scribed by Michael Bühl


Book ID
103035485
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
415 KB
Volume
242
Category
Article
ISSN
0009-2614

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Potential interstellar molecules. Format
✍ Suresh Dua; Stephen J. Blanksby; John H. Bowie 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 50 KB 👁 2 views

Computations at the RCCSD(T)/aug-cc-pVDZ//B3LYP/6-31G\* level of theory indicate that neutral C 6 CO is a stable species. The ground state of this neutral is the singlet cumulene oxide :C=C=C=C=C=C=C=O. The adiabatic electron affinity and dipole moment of singlet C 6 CO are 2.47 eV and 4.13 D, respe