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Structure and NMR Spectroscopy in Solid State and Solution of {Na 2 [μ 2 ‐(C 6 H 4 O 2 ) 2 ](C 6 H 4 OOH) 2 } 4−
Author(s) -
Lu XiaoMing,
Li Li,
Song FuGen,
Wang Bo,
Yuan HuaZhen,
Ye ChaoHui
Publication year - 2006
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.200690064
Subject(s) - chemistry , triclinic crystal system , crystallography , solid state nuclear magnetic resonance , crystal structure , solid state , nuclear magnetic resonance spectroscopy , ion , single crystal , ligand (biochemistry) , trigonal prismatic molecular geometry , cluster (spacecraft) , molecule , stereochemistry , octahedron , nuclear magnetic resonance , receptor , biochemistry , physics , organic chemistry , computer science , programming language
The new compound (NH 3 CH 2 CH 2 NH 3 ) 2 {Na 2 [μ 2 ‐(C 6 H 4 O 2 ) 2 ](C 6 H 4 OOH) 2 } has been synthesized and characterized by elemental analysis, IR, UV, NMR and single crystal X‐ray diffraction. The yellow crystals crystallized in the triclinic system with space group P ‐1 and a =0.6091(2) nm, b =1.0274(3) nm, c =1.2466(4) nm, α =89.073(6)°, β =89.376(6)°, γ =78.873(5)°, V =0.7653(4) nm 3 , Z =1, R 1 =0.0568, wR 2 =0.1198. Every sodium ion coordinates in trigonal prismatic fashion with two O atoms from a terminal chelating catecholato ligand and four O atoms from bridging µ 2 catecholato ligands. Two neighboring NaO 6 trigonal prisms are face‐shared and centrosymmetric with regard to the inversion center consisting of four tri‐bridging O atoms to form a binuclear cluster {Na 2 [μ 2 ‐(C 6 H 4 O 2 ) 2 ]} 2− anion. The comparison of 13 C NMR spectrum of the complex in solid state with that in solution indicated that the rapid exchange between the bridging [μ 2 ‐(C 6 H 4 O 2 )] 2− and terminal [C 6 H 4 OOH] − ligands was present in solution.