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ChemInform Abstract: A Theoretical Study of the Properties and Reactivities of Ketene, Thioketene, and Selenoketene.

โœ Scribed by Ngai Ling Ma; Ming Wah Wong

Publisher
John Wiley and Sons
Year
2000
Weight
23 KB
Volume
31
Category
Article
ISSN
0931-7597

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A Theoretical Study of the Properties an
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## addition / Electrophilic addition The properties and reactivities of ketene, thioketene, and selenoketene were studied using the G2(MP2) level of theory. Calculated structures, vibrational frequencies, dipole moments, NMR chemical shifts, and charge distributions strongly suggest that thioketene

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The protonation and hydration of carbon suboxide (O=C=C=C=O) were studied by ab initio molecular orbital methods. While the geometries of the stationary points were optimized using MP2/6-31G(d,p) calculations, relative energies were estimated using QCISD(T)/6-31G(d,p) and 6-311G(d,p) ZPE. The behavi