Enclathrating Benzene in a Neutral Dicopper(II) Coordination Framework

Abstract

Two infinite complexes {[Cu₂(O₂CCH₃)₄](3-tpt)(CH₃OH)₂}_∞ (1) and {[Cu₂(O₂CPh)₄](3-tpt)(C₆H₆)_1.5}_∞ (2) were obtained by reactions of 2,4,6-tris(3′-pyridyl)-1,3,5-triazine (3-tpt) with Cu₂(O₂CCH₃)₄ and Cu₂(O₂CPh)₄, respectively, which have been structurally established by single-crystal X-ray diffraction. Complex (1) consists of one-dimensional zig-zag chains in its solid state, which can encapsulate methanol molecules; complex (2) consists of one-dimensional helical chains in its solid state, providing large channels which can selectively enclathrate benzene molecules. (1) crystallizes in the monoclinic space group P2₁/c with a 8.2892(4), b 22.8479(8), c 16.9258(10) Å, β 99.1480(10)°, V 3164.8(3) ų, and Z 4; (2) crystallizes in the triclinic space group P1 with a 10.7641(8), b 12.0908(8), c 18.9039(12) Å, α 82.514(3)°, β 85.268(2)°, γ 79.746(4)°, V 2395.9(3) ų, and Z 2. The inclusion selectivity toward aromatic molecules was discussed.