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1 H nuclear magnetic resonance of α‐hexahydro‐1,3,5‐trinitro‐ s ‐triazine (RDX) and the α‐, β‐, γ‐ and δ‐polymorphs of octahydro‐1,3,5,7‐tetranitro‐1,3,5,7‐tetrazocine (HMX)
Author(s) -
Landers A. G.,
Apple T. M.,
Dybowski Cecil,
Brill T. B.
Publication year - 1985
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260230305
Subject(s) - chemistry , intramolecular force , dipole , nmr spectra database , ring (chemistry) , crystallography , spectral line , nuclear magnetic resonance spectroscopy , nuclear magnetic resonance , triazine , computational chemistry , stereochemistry , organic chemistry , physics , astronomy
1 H NMR spectra of the energetic materials α‐hexahydro‐1,3,5‐trinitro‐ s ‐triazine (RDX) and the α‐, β‐, γ‐ and δ‐polymorphs of octahydro‐1,3,5,7‐tetranitro‐1,3,5,7‐tetrazocine (HMX) have been obtained in the solid phase. Primary and secondary dipole‐dipole interactions can be observed, which allows calculation of the intramolecular H … H distances. The spectra suggest that γ‐HMX, the molecular structure of which is unknown, possesses a chair‐chair ring conformation similar to that of α‐ and δ‐HMX.