Abstract
Energy density and structure stability are of key concerns in devising energy materials such as CNHO molecular crystals and the emerging cyclo-N5 − complexes for desired explosive functionalities with a mechanism being open for exploration. An extension of the recent progress in solvation suggests that a combination of the intermolecular hydrogen bond (X:H–Y or HB with ‘:’ being electron lone pair of X, Y = O or N) tension and the super-HB (X:⇔:Y) or anti-HB (H↔H) compression not only stabilizes the structure but also stores excessive energy by shortening the intramolecular bonds. The presence of the X:H constrains and the presence of the X:⇔:Y and/or H↔H fosters the explosion. Observations suggest that the absence of X:H–Y tension results in the spontaneous aquatic explosion of alkali metals and molten alkali halides. The lack of X:⇔:Y repulsion fosters no explosion of the molten NaCl in liquid NH3, nor the molten Na2CO3 salt or H3BO3 acid in water. The findings shall offer guidelines for devising efficient energy materials and reconciling the nature origin of water ice, aqueous solutions, and explosive energy materials – significance of electron lone pairs and protons.
Original language | English |
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Article number | 112916 |
Journal | Journal of Molecular Liquids |
Volume | 306 |
DOIs | |
Publication status | Published - 15 May 2020 |
Externally published | Yes |
Keywords
- Energy storage
- Hydrogen bond
- Molecular interaction
- Structure stabilization