Xin, Zhen-dong published the artcileEffect of hydrogen bond on trigger bond strength of nitrotriazole, Formula: C2H2N4O2, the publication is Zhongbei Daxue Xuebao, Ziran Kexueban (2013), 34(3), 280-287, 292, database is CAplus.
The changes of bond dissociation energy(BDE) in the C-NO2 bond upon the formation of the intermol. hydrogen-bonding interaction between HF and the nitro group of 14 kinds of nitrotriazoles and Me derivatives were investigated using the B3LYP and MP2(full) methods on the 6-311+ +G**, 6-311++G(2df, 2p) and aug-cc-pVTZ basis sets. The result shows that the strength of the C-NO2 bond is enhanced and the neg. charge of nitro group is increased upon complex formation. The increment of the C-NO2 bond dissociation energies(ΔBDE) correlates well with the intermol. H-bonding interaction energies. Electron d. shifts toward the C-NO2 bond upon complex, leading to the stronger C-NO2 bond and weakening explosive sensitivity.
Zhongbei Daxue Xuebao, Ziran Kexueban published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C4H11NO, Formula: C2H2N4O2.
Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics