TY - JOUR
T1 - Cs[Cl3F10] : A Propeller-Shaped [Cl3F10]− Anion in a Peculiar A[5]B[5] Structure Type
AU - Scheibe, Benjamin
AU - Karttunen, Antti J.
AU - Müller, Ulrich
AU - Kraus, Florian
PY - 2020/10/5
Y1 - 2020/10/5
N2 - Reaction of CsF with ClF3 leads to Cs[Cl3F10]. It contains a molecular, propeller-shaped [Cl3F10]− anion with a central μ3-F atom and three T-shaped ClF3 molecules coordinated to it. This anion represents the first example of a heteropolyhalide anion of higher ClF3 content than [ClF4]− and is the first Cl-containing interhalogen species with a μ-bridging F atom. The chemical bonds to the central μ3-F atom are highly ionic and quite weak as the bond lengths within the coordinating XF3 units (X = Cl, and also calculated for Br, I) are almost unchanged in comparison to free XF3 molecules. Cs[Cl3F10] crystallizes in a very rarely observed A[5]B[5] structure type, where cations and anions are each pseudohexagonally close packed, and reside, each with coordination number five, in the trigonal bipyramidal voids of the other.
AB - Reaction of CsF with ClF3 leads to Cs[Cl3F10]. It contains a molecular, propeller-shaped [Cl3F10]− anion with a central μ3-F atom and three T-shaped ClF3 molecules coordinated to it. This anion represents the first example of a heteropolyhalide anion of higher ClF3 content than [ClF4]− and is the first Cl-containing interhalogen species with a μ-bridging F atom. The chemical bonds to the central μ3-F atom are highly ionic and quite weak as the bond lengths within the coordinating XF3 units (X = Cl, and also calculated for Br, I) are almost unchanged in comparison to free XF3 molecules. Cs[Cl3F10] crystallizes in a very rarely observed A[5]B[5] structure type, where cations and anions are each pseudohexagonally close packed, and reside, each with coordination number five, in the trigonal bipyramidal voids of the other.
KW - density functional theory calculations
KW - fluorides
KW - halogens
KW - interhalogen compound
KW - X-ray diffraction
UR - http://www.scopus.com/inward/record.url?scp=85089549821&partnerID=8YFLogxK
U2 - 10.1002/anie.202007019
DO - 10.1002/anie.202007019
M3 - Article
AN - SCOPUS:85089549821
SN - 1433-7851
VL - 59
SP - 18116
EP - 18119
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
IS - 41
ER -