The Trifluoromethyl Anion: Evidence for [K(crypt-222)]+ CF3−

Fedor M. Miloserdov; Andrey I. Konovalov; Eddy Martin; Jordi Benet-Buchholz; Eduardo C. Escudero-Adán; Anton Lishchynskyi; Vladimir V. Grushin

doi:10.1002/hlca.201700032

The Trifluoromethyl Anion: Evidence for [K(crypt-222)]⁺ CF3−

Fedor M. Miloserdov, Andrey I. Konovalov, Eddy Martin, Jordi Benet-Buchholz, Eduardo C. Escudero-Adán, Anton Lishchynskyi, Vladimir V. Grushin

Research output: Contribution to journal › Article › Academic › peer-review

12 Citations (Scopus)

Abstract

[K(crypt-222)]⁺ CF^-₃ (1) and [K(crypt-222)]⁺ BF^-₄ (3) are isostructural, displaying nearly identical unit cell parameters. The two structures are similar to the extent that the previously reported [K(crypt-222)]⁺ CF^-₃ model can be refined against the new data for [K(crypt-222)]⁺ v, with extra electron density being observed from the fourth fluorine atom of the BF^-₄. 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 CHF₃ clathrate of deprotonated [K(crypt-222)]⁺ (crystallographically indistinguishable from 1) is ruled out on the basis of all available data.

Original language	English
Journal	Helvetica chimica acta
Volume	100
Issue number	4
DOIs	https://doi.org/10.1002/hlca.201700032
Publication status	Published - Apr 2017
Externally published	Yes

Keywords

Crown ethers
Cryptands
Free (‘naked’) ions
Trifluoromethyl anion
X-Ray structure determination

Access to Document

10.1002/hlca.201700032

Cite this

@article{328358f51be14cceb63e9db7b826314c,

title = "The Trifluoromethyl Anion: Evidence for [K(crypt-222)]+ CF3−",

abstract = "[K(crypt-222)]+ CF-3 (1) and [K(crypt-222)]+ BF-4 (3) are isostructural, displaying nearly identical unit cell parameters. The two structures are similar to the extent that the previously reported [K(crypt-222)]+ CF-3 model can be refined against the new data for [K(crypt-222)]+ v, with extra electron density being observed from the fourth fluorine atom of the BF-4. 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 CHF3 clathrate of deprotonated [K(crypt-222)]+ (crystallographically indistinguishable from 1) is ruled out on the basis of all available data.",

keywords = "Crown ethers, Cryptands, Free ({\textquoteleft}naked{\textquoteright}) ions, Trifluoromethyl anion, X-Ray structure determination",

author = "Miloserdov, {Fedor M.} and Konovalov, {Andrey I.} and Eddy Martin and Jordi Benet-Buchholz and Escudero-Ad{\'a}n, {Eduardo C.} and Anton Lishchynskyi and Grushin, {Vladimir V.}",

year = "2017",

month = apr,

doi = "10.1002/hlca.201700032",

language = "English",

volume = "100",

journal = "Helvetica chimica acta",

issn = "0018-019X",

publisher = "Wiley",

number = "4",

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TY - JOUR

T1 - The Trifluoromethyl Anion

T2 - Evidence for [K(crypt-222)]+ CF3−

AU - Miloserdov, Fedor M.

AU - Konovalov, Andrey I.

AU - Martin, Eddy

AU - Benet-Buchholz, Jordi

AU - Escudero-Adán, Eduardo C.

AU - Lishchynskyi, Anton

AU - Grushin, Vladimir V.

PY - 2017/4

Y1 - 2017/4

N2 - [K(crypt-222)]+ CF-3 (1) and [K(crypt-222)]+ BF-4 (3) are isostructural, displaying nearly identical unit cell parameters. The two structures are similar to the extent that the previously reported [K(crypt-222)]+ CF-3 model can be refined against the new data for [K(crypt-222)]+ v, with extra electron density being observed from the fourth fluorine atom of the BF-4. 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 CHF3 clathrate of deprotonated [K(crypt-222)]+ (crystallographically indistinguishable from 1) is ruled out on the basis of all available data.

AB - [K(crypt-222)]+ CF-3 (1) and [K(crypt-222)]+ BF-4 (3) are isostructural, displaying nearly identical unit cell parameters. The two structures are similar to the extent that the previously reported [K(crypt-222)]+ CF-3 model can be refined against the new data for [K(crypt-222)]+ v, with extra electron density being observed from the fourth fluorine atom of the BF-4. 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 CHF3 clathrate of deprotonated [K(crypt-222)]+ (crystallographically indistinguishable from 1) is ruled out on the basis of all available data.

KW - Crown ethers

KW - Cryptands

KW - Free (‘naked’) ions

KW - Trifluoromethyl anion

KW - X-Ray structure determination

U2 - 10.1002/hlca.201700032

DO - 10.1002/hlca.201700032

M3 - Article

AN - SCOPUS:85017609090

SN - 0018-019X

VL - 100

JO - Helvetica chimica acta

JF - Helvetica chimica acta

IS - 4