title: Effects of solvation on the framework of a breathing copper MOF employing a semirigid linker.
abstract: A semirigid di-1,2,4-triazole ligand leads to  formation of the MOF [Cu(2)(L)(2)(SO(4))(Br)(2)]·xH(2)O (1). The framework structure of 1 flexes reversibly upon removal or addition of water to form semihydrated ([Cu(2)(L)(2)(SO(4))(Br)(2)]·4H(2)O) and dehydrated ([Cu(2)(L)(2)(SO(4))(Br)(2)]·0H(2)O) MOFs, 1' and 1″, respectively. Single-crystal X-ray analysis demonstrated that the 2-butene subunit of the ligand rotates between two positions for 1 and 1', causing a change in the solvent-accessible volume in the framework. This double hinge within the semirigid ligand is a built-in breathing mechanism and suggests a novel approach for general synthesis of breathing MOFs.
authors: Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37996-1600, United States.
authors: Christopher R
authors: CR
authors: Murdock
authors: Zheng
authors: Z
authors: Lu
authors: David M
authors: DM
authors: Jenkins
mesh_terms: D003300:Copper / Q000737:chemistry*; D008958:Models, Molecular; D009942:Organometallic Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D012995:Solubility; D013696:Temperature; D014230:Triazoles / Q000737:chemistry*
chemical_list: D009942:Organometallic Compounds; D014230:Triazoles; C045575:1,2,4-triazole; D003300:Copper