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Title: Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks

Journal Article · · Crystal Growth and Design
DOI:https://doi.org/10.1021/cg300093h· OSTI ID:1049267

Using different structural isomers (2,5-; 2,4-; 2;6-; 3,4-; 3,5-) of pyridinedicarboxylic acid, nine calcium-based coordination networks were synthesized under hydro-/solvothermal conditions and/or were produced via solvent recrystallization of previously synthesized compounds. The coordination networks reported were characterized using single crystal X-ray diffraction and thermal methods. They show diverse structural topologies, depending on the ligand geometry and coordinated solvent molecules, with inorganic connectivity motifs ranging from isolated octahedra to infinite chains, layer and a three-dimensional dense framework. The as-synthesized and desolvated networks further show structural transformation to hydrated phases through dissolution/reformation pathways. The process is likely driven by the high hydration energy of the calcium metal center.

Research Organization:
Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source
Sponsoring Organization:
USDOE SC OFFICE OF SCIENCE (SC)
DOE Contract Number:
DE-AC02-98CH10886
OSTI ID:
1049267
Report Number(s):
BNL-98224-2012-JA; 39KC02000; TRN: US201217%%601
Journal Information:
Crystal Growth and Design, Vol. 12, Issue 5; ISSN 1528-7483
Country of Publication:
United States
Language:
English