Journal
DALTON TRANSACTIONS
Volume 40, Issue 15, Pages 3796-3798Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c0dt01441a
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- Deutsche Forschungsgemeinschaft [SPP-1362]
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The topological diversity of lithium-boron imidazolates LiB(imid)(4) was studied by combining topological enumeration and ab initio DFT calculations. The structures based on zeolitic rho, gme and fau nets are shown to be stable and have high total hydrogen uptake (6.9-7.8 wt.%) comparable with that of MOF-177.
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