jp9b06180_si_001.pdf (323.65 kB)
Fast Magic-Angle Spinning Solid-State 1H NMR Reveals Structural Relationships in the High Explosive 2,6-Diamino-3,5-dinitropyrazine-1-oxide (LLM-105)
journal contribution
posted on 2019-08-23, 20:43 authored by Harris E. Mason, Ginger J. Guillen, Alexander E. Gash1H nuclear magnetic resonance (NMR) experiments were
performed on the proposed insensitive high-explosive 2,6-diamino-3,5-dinitropyrazine-1-oxide
(LLM-105) at high-speed magic-angle spinning rates of up to 60 kHz.
These rapid speeds produce well-resolved spectra that aid in the study
of the chemical and structural properties of this material. Extraordinarily
long 1H T1 values were observed for the main
amine peaks from the LLM-105 explosive and can be used to differentiate
between peaks from the main compound and those of impurities. Further,
advanced NMR measurements and simulations reveal unique spectral properties
due to the strong network of intramolecular and intermolecular hydrogen
bonding and provide insights in the structure of LLM-105.