Conformational analysis through selective isotopic substitution: supersonic jet spectroscopic determination of the minimum energy conformation of o-xylene
- 1 January 1992
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 9,p. 713-714
- https://doi.org/10.1039/c39920000713
Abstract
Supersonic jet mass resolved excitation spectroscopy is employed to observe the S1â†� S0 electronic transition origin of the individual conformations of [α-2H1]-, [α,α-2H2]- and [α,α′-2H2]-o-xylene and to establish the minimum energy conformation of o-xylene in its ground (S0) and first excited (S1) singlet states. The anti, planar, gear clashed conformer 5[see Tables 1 and 2; i.e., τ(C-2–C–1-Cα–H-α)=τ(C-1–C-2–C-α′–H-α′)= 180°] is found to be the most stable.Keywords
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