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Metal–Organic Frameworks (MOFs) as Safer,Structurally Reinforced Energetics |
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| Authors: | Oleksandr S Bushuyev Dr Geneva R Peterson Dr Preston Brown Dr Amitesh Maiti Dr Richard H Gee Prof Brandon L Weeks Prof Louisa J Hope‐Weeks |
| Institution: | 1. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, TX 79409 (USA), Fax: (+1)?806‐742‐1289;2. Lawrence Livermore National Laboratory, Livermore, CA 94550 (USA);3. Department of Chemical Engineering, Texas Tech University, Lubbock, TX 79409 (USA) |
| Abstract: | Second‐generation cobalt and zinc coordination architectures were obtained through efforts to stabilize extremely sensitive and energetic transition‐metal hydrazine perchlorate ionic polymers. Partial ligand substitution by the tridentate hydrazinecarboxylate anion afforded polymeric 2D‐sheet structures never before observed for energetic materials. Carefully balanced reaction conditions allowed the retention of the noncoordinating perchlorate anion in the presence of a strongly chelating hydrazinecarboxylate ligand. High‐quality X‐ray single‐crystal structure determination revealed that the metal coordination preferences lead to different structural motifs and energetic properties, despite the nearly isoformulaic nature of the two compounds. Energetic tests indicate highly decreased sensitivity and DFT calculations suggest a high explosive performance for these remarkable structures. |
| Keywords: | coordination polymers crystal engineering density functional calculations energetic materials metal– organic frameworks |