期刊
JOURNAL OF SOLID STATE CHEMISTRY
卷 329, 期 -, 页码 -出版社
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jssc.2023.124416
关键词
Hydro-closo-borates; Guanidinium compounds; High-energy materials; Hydrogen-producing systems; Crystal structures
The novel guanidinium hydro-closo-borates with [BnHn]2- (n = 10 and 12) anions were successfully synthesized via direct reaction. The crystal structures exhibit hydrogen bonding interactions and have the potential to facilitate H2 generation.
The novel guanidinium hydro-closo-borates featuring [BnHn]2- (n = 10 and 12) anions were successfully synthesized via the direct reaction of the corresponding free acids, (H3O)2[BnHn], with guanidinium carbonate, (CN3H6)2[CO3], in aqueous media. The resulting compounds crystallize in different monoclinic space groups such as C2/c, P2/c and P21/n for (CN3H6)2[B10H10], (CN3H6)2[B12H12] & sdot; 2 H2O and Cs(CN3H6)[B12H12], respectively. An intriguing aspect of these crystal structures was the observation of dihydrogen bonding interactions involving the negatively polarized hydrogen atoms of the boron clusters and the positively polarized hydrogen atoms in the guanidinium cations (B delta+-H delta-& sdot;& sdot;& sdot;H delta+-N delta-). Furthermore, a classical hydrogen bonding system is evident in (CN3H6)2[B12H12] & sdot; 2 H2O. The presence of negatively charged hydrogen (H delta-) in hydroborate anions and positively charged hydrogen atoms (H delta+) in guanidinium cations in these structures suggests their potential for facilitating H2 generation upon thermal decomposition. Furthermore, theoretical analysis predicts that under an oxygen atmosphere, diguanidinium dodecahydro-closo-hydroborate has the capacity to yield energy up to 11 MJ/mol.
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