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Interstellar molecules. Conversion of C3O− to C3O in the gas phase

✍ Scribed by Stephen J. Blanksby; Suresh Dua; John H. Bowie

Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
42 KB
Volume
13
Category
Article
ISSN
0951-4198

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✦ Synopsis

Neutral C 3 O has been prepared by collision induced neutralisation of the precursor radical anion formed by the reaction À CC-CO-OEt → C 3 O ÀÁ EtO Á . The similar neutralisation reionisation ( À NR ) and charge reversal (CR) spectra of C 3 O ÀÁ indicate that the potential surfaces of C 3 O and C 3 O Á show favourable vertical Franck-Condon overlap. This suggests that the bond connectivities of anion, neutral and cation C 3 O are the same.

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Potential interstellar molecules. Format
Potential interstellar molecules. Formation of neutral C6CO from C6CO−· in the gas phase
✍ 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