关键词: 萘 P, 菲 P, 二环己胺, X射线衍射分析, 质子磁共振谱法

It is reported that host molecules with chela shape, trans-9,10-di (1'-naphthy1)-phenanthrene-9, 10-diol (1), can form the inclusion compounds with various small molecules containing nitrogen atoms, such as quinoline, isoquinoline, piperidine and dicyclohexylamine, while another compound, trans-9, 10-di-benzyl-phenanthrene-9, 10-diol (2) does not exhibit inclusion capability. These inclusion compounds have heen confirmed by means of IR and powder XRD and their host-guest molar ratios have been determited by ~1H NMR to be 1:2[(1)/quinoline], 1:2[(1)/isoquinoline], 1:2[(1)/piperidine] and 1:2[(1) /dicyclohexylamine] respectively. The structures of the inclusion compound of host molecule (1) with dicyclo-hexylamine and compound (2) are determined by single crystal X-ray diffraction. It is shown that the crystal of the inclusion compound of (1) with channel type coordinatoclathrate belongs to orthorhombic crystal system with space group Pnca (standard type Pbca), a = 1.6714(3) nm, b = 1.6875(3) nm, c = 1.7224(3) nm, V = 4.858 nm~3, Z = 8, while that of the compound of (2) belongs to triclinic crystal system with space group P1-bar, a = 0. 8058 (2) nm, b = 0.9715(2) nm, c = 1.4437(3) nm, α = 109.59(3)°, β = 95.96(3)°, γ = 96.03(2)°, V = 1.0471 nm~3, Z = 2. By comparing structural differences of (1) and (2), the relationship between structure and inclusion ability of host molecule (1) is discussed.

Key words: NAPHTHALENE P, PHENANTHRENE P, BICYCLOHEXANAMIDE P, XRD, 1HNMR