This journal is © The Royal Society of Chemistry 2000 S1 Mono- and bimetallic lanthanide(III) phenolic cryptates obtained by template reaction : solid state structure, photophysical properties and relaxivity Carlos Platas,a,c Fernando Avecilla,a Andrés de Blas,a Teresa Rodríguez-Blas,a,* Carlos F. G. C. Geraldes,b Éva Tóth,c André E. Merbachc and Jean-Claude G. Bünzlic,* a Departamento de Química Fundamental e Industrial, Universidade da Coruña, Campus de A Zapateira s/n 15071 A Coruña, Spain. E-mail: mayter@udc.es b Departamento de Bioquímica, Faculdade de Ciências e Tecnologia, e Centro de Neurociências, Universidade de Coimbra, Apartado 3126, 3000 Coimbra, Portugal c Institute of Inorganic and Analytical Chemistry, University of Lausanne, CH-1015 Lausanne, Switzerland. E-mail: jean-claude.bunzli@icma.unil.ch Supporting Information Available 5 pages This journal is © The Royal Society of Chemistry 2000 S2 Table S1 Selected angles (deg) for cryptates 4 and 7 4 7 4 7 O(3)-Dy(1)-O(1) 74.6(2) 73.12(17) N(1)-Dy(1)-O(5) 144.7(3) 150.5(2) O(3)-Dy(1)-O(2) 93.8(2) 76.37(17) N(4)-Dy(1)-O(5) 117.8(3) 112.52(19) O(1)-Dy(1)-O(2) 70.1(2) 66.06(17) O(3)-Dy(1)-N(2) 133.5(2) 141.90(18) O(3)-Dy(1)-O(6) 120.0(2) 115.40(18) O(1)-Dy(1)-N(2) 122.3(2) 124.65(18) O(1)-Dy(1)-O(6) 142.4(2) 139.54(17) O(2)-Dy(1)-N(2) 132.1(2) 140.14(19) O(2)-Dy(1)-O(6) 74.2(2) 77.40(17) O(6)-Dy(1)-N(2) 74.9(2) 74.61(17) O(3)-Dy(1)-N(3) 75.6(3) 78.98(19) N(3)-Dy(1)-N(2) 65.5(3) 66.1(2) O(1)-Dy(1)-N(3) 140.4(3) 138.38(19) N(1)-Dy(1)-N(2) 66.5(2) 65.65(19) O(2)-Dy(1)-N(3) 137.5(2) 135.39(19) N(4)-Dy(1)-N(2) 66.5(2) 68.8(2) O(6)-Dy(1)-N(3) 76.1(3) 80.51(19) O(5)-Dy(1)-N(2) 115.8(2) 109.58(18) O(3)-Dy(1)-N(1) 83.5(2) 97.41(19) O(1)-Dy(2)-O(2) 65.65(17) O(1)-Dy(1)-N(1) 70.6(2) 69.32(17) O(1)-Dy(2)-O(8) 78.00(19) O(2)-Dy(1)-N(1) 139.8(2) 134.83(18) O(2)-Dy(2)-O(8) 140.7(2) O(6)-Dy(1)-N(1) 140.5(2) 140.24(17) O(1)-Dy(2)-O(3) 73.85(17) N(3)-Dy(1)-N(1) 80.8(2) 74.51(16) O(3)-Dy(1)-N(4) 155.4(2) 148.90(18) O(8)-Dy(2)-O(3) 110.2(2) O(1)-Dy(1)-N(4) 82.0(2) 83.69(19) O(1)-Dy(2)-N(5) 75.24(17) O(2)-Dy(1)-N(4) 70.7(2) 75.39(18) O(2)-Dy(2)-N(5) 84.08(19) O(6)-Dy(1)-N(4) 75.2(2) 70.39(19) O(8)-Dy(2)-N(5) 72.1(2) N(3)-Dy(1)-N(4) 128.7(2) 131.2(2) O(3)-Dy(2)-N(5) 147.58(17) N(1)-Dy(1)-N(4) 95.9(2) 93.3(2) O(1)-Dy(2)-N(6) 134.2(2) O(3)-Dy(1)-O(5) 70.3(3) 67.94(18) O(2)-Dy(2)-N(6) 138.1(2) O(1)-Dy(1)-O(5) 121.5(2) 125.38(16) O(8)-Dy(2)-N(6) 78.8(2) O(2)-Dy(1)-O(5) 67.4(2) 68.61(17) O(3)-Dy(2)-N(6) 78.06(19) O(6)-Dy(1)-O(5) 50.6(2) 47.58(17) N(5)-Dy(2)-N(6) 132.2(2) N(3)-Dy(1)-O(5) 70.3(2) 67.83(19) O(1)-Dy(2)-N(8) 134.4(2) N(6)-Dy(2)-N(7) 67.4(2) O(2)-Dy(2)-N(8) 69.3(2) N(8)-Dy(2)-N(7) 66.1(2) O(8)-Dy(2)-N(8) 141.1(2) O(1)-Dy(2)-O(9B) 69.4(3) O(3)-Dy(2)-N(8) 101.0(2) O(2)-Dy(2)-O(9B) 126.4(3) N(5)-Dy(2)-N(8) 93.6(2) O(8)-Dy(2)-O(9B) 44.2(3) N(6)-Dy(2)-N(8) 85.8(3) O(3)-Dy(2)-O(9B) 66.2(2) O(1)-Dy(2)-N(7) 140.12(18) N(5)-Dy(2)-O(9B) 111.0(3) O(2)-Dy(2)-N(7) 125.20(19) N(6)-Dy(2)-O(9B) 66.5(3) O(8)-Dy(2)-N(7) 75.0(2) N(8)-Dy(2)-O(9B) 151.0(3) O(3)-Dy(2)-N(7) 143.54(18) N(7)-Dy(2)-O(9B) 107.8(3) N(5)-Dy(2)-N(7) 68.9(2) 84.7(2) O(2)-Dy(2)-O(3) This journal is © The Royal Society of Chemistry 2000 S3 -1 an =17079 cm an =16345 cm an =16332 cm an =16218 cm -1 -1 -1 17200 17210 17220 17230 17240 17250 17260 17270 17280 E / cm Figure S1. -1 Excitation spectra of the [EuL(NO3)](NO3)2.4H2O complex (solid state, 10 K) in the 5 D0 7F0 spectral range obtained by analyzing at different wavelengths. This journal is © The Royal Society of Chemistry 2000 S4 (D) (C) (B) J=2 J=1 J=4 J=0 (A) J=3 13.5 14.0 14.5 15.0 15.5 16.0 16.5 17.0 17.5 -1 3 E / cm (x 10 ) Figure S2. Emission spectra of the [EuL(NO3)](NO3)2.4H2O complex in the solid state at 10 K by exciting at different energies : (A) exc = 22 075; (B) exc = 17 241; (C) exc = 17 234 and (D) exc = 17 229 cm-1. This journal is © The Royal Society of Chemistry 2000 S5 * 100 200 300 400 E / cm 500 600 700 800 -1 * 700 800 900 1000 E / cm Figure S3. 1100 1200 1300 1400 -1 Emission spectrum of the [EuL(NO3)](NO3)2.4H2O complex in the spectral ranges of the 5 D07F1 (top) and 5D07F2 (bottom) transitions (solid state, 10 K) in correlation with the IR spectrum. The 5D0 7F0 transition was taken as the origin. * Peaks assigned to vibronic transitions.