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The Trifluoromethyl Anion: Evidence for [K(crypt‐222)]+
Abstract:K(crypt‐222)]+ urn:x-wiley:0018019X:media:hlca201700032:hlca201700032-math-0002 ( 1 ) and K(crypt‐222)]+ urn:x-wiley:0018019X:media:hlca201700032:hlca201700032-math-0003 ( 3 ) are isostructural, displaying nearly identical unit cell parameters. The two structures are similar to the extent that the previously reported K(crypt‐222)]+ urn:x-wiley:0018019X:media:hlca201700032:hlca201700032-math-0004 model can be refined against the new data for K(crypt‐222)]+ urn:x-wiley:0018019X:media:hlca201700032:hlca201700032-math-0005, with extra electron density being observed from the fourth fluorine atom of the urn:x-wiley:0018019X:media:hlca201700032:hlca201700032-math-0006. In agreement with experimental observations, theoretical calculations suggest that deprotonated K(crypt‐222)]+ is highly unstable even at as low as 195 K. The previously considered 1:1 CHF 3 clathrate of deprotonated K(crypt‐222)]+ (crystallographically indistinguishable from 1 ) is ruled out on the basis of all available data.
Keywords:Trifluoromethyl anion  Free (‘  naked’  ) ions  Cryptands  Crown ethers  X‐Ray structure determination
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