skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Probing the Structural Effects of Hydrogen Bonding in 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB): Experimental Evidence by 15 N NMR Spectroscopy

Journal Article · · Journal of Physical Chemistry. C
ORCiD logo [1]; ORCiD logo [1];  [2];  [3];  [3];  [4]; ORCiD logo [2]
  1. Atmospheric Earth & Engineering Division, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, United States
  2. Energetic Materials Center, Materials Science Division, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, United States
  3. Forensic Science Center, Material Science Division, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, United States
  4. Defense Technologies Engineering Division, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, United States

Sponsoring Organization:
USDOE
Grant/Contract Number:
AC52-07NA27344
OSTI ID:
1894961
Journal Information:
Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Vol. 126 Journal Issue: 44; ISSN 1932-7447
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (34)

IR vibrational assignments for 1,3,5-triamine-2,4,6-trinitrobenzene (TATB) based on the temperature-dependent frequency shifts journal October 2013
Notes- Nitration of 1,3,5-Trihalobenzenes journal June 1960
The crystal structure of 1,3,5-triamino-2,4,6-trinitrobenzene journal May 1965
Inter- and Intramolecular Bonding in 1,3,5-Triamino-2,4,6-trinitrobenzene: An Experimental and Theoretical Quantum Theory of Atoms in Molecules (QTAIM) Analysis journal August 2017
Resolution limits in magic-angle rotation NMR spectra of polycrystalline solids journal March 1982
Vibrational assignments and thermodynamic properties of triclinic TATB journal October 2018
Sensitivity improvement of 1 H-15 N cross-polarization at high MAS frequency applied to NMR structural characterization of organic solids journal November 2011
Hydrogen/Deuterium Isotope Effects on the NMR Chemical Shifts and Geometries of Intermolecular Low-Barrier Hydrogen-Bonded Complexes journal January 1996
The solubility and recrystallization of 1,3,5-triamino-2,4,6-trinitrobenzene in a 3-ethyl-1-methylimidazolium acetate–DMSO co-solvent system journal January 2009
Hydrostatic Compression Curve for Triamino-Trinitrobenzene Determined to 13.0 GPa with Powder X-Ray Diffraction journal August 2008
Synthesis of 2,4,6-triamino-1,3,5- trinitrobenzene journal January 2011
A review of energetic materials synthesis journal February 2002
Vibration Spectra of 1,3,5‐Triamino‐2,4,6‐trinitrobenzene journal May 1971
Temperature-dependent Raman spectra of triaminotrinitrobenzene: Anharmonic mode couplings in an energetic material journal September 2003
Experimental Investigation of the Thermal Decomposition Pathways and Kinetics of TATB by Isotopic Substitution journal June 2021
27 Al MQMAS of the δ-Al 13 -Keggin journal January 2017
Synthesis and spectroscopic characterization of15N-labeled hexaaminobenzene derivatives journal July 1991
Geometric isotope effect of deuteration in a hydrogen-bonded host–guest crystal journal February 2018
About the Aromaticity of symm-Triaminotrinitrobenzene journal February 2019
IR vibrational assignments for TATB from the density functional B3LYP/6-31G(d) method journal October 2005
Resolution in 13C NMR of organic solids using high-power proton decoupling and magic-angle sample spinning journal August 1981
Trace Compound Analysis in TATB by Liquid Chromatography coupled with Spectroscopic and Spectrometric Detection journal February 2022
Equation of state of 1,3,5-triamino-2,4,6-trinitrobenzene up to 66 GPa journal December 2017
Vibrational spectrum of 1,3,5-triamino-2,4,6-trinitrobenzene journal January 1983
Recrystallization and solubility of 1,3,5-triamino-2,4,6-trinitrobenzene in dimethyl sulfoxide journal April 1996
Super impact stable TATB explosives recrystallized by bicarbonate ionic liquids with a record solubility journal March 2020
Spectroscopic and thermal studies on the decomposition of l,3,5-triamino-2,4,6-trinitrobenzene (TATB) journal January 1996
High-Pressure Equation of State of 1,3,5-triamino-2,4,6-trinitrobenzene: Insights into the Monoclinic Phase Transition, Hydrogen Bonding, and Anharmonicity journal December 2020
Enhancing the resolution of 1 H and 13 C solid-state NMR spectra by reduction of anisotropic bulk magnetic susceptibility broadening journal January 2017
Pressure-induced phase transition in 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) journal May 2019
On Tribromtrinitrobenzol journal January 1887
Vibrational properties of molecule and crystal of TATB: A comparative density functional study journal October 2006
Flip-back, an old trick to face highly contrasted relaxation times: Application in the characterization of pharmaceutical mixtures by CPMAS NMR journal September 2011
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 August 2019

Similar Records

Related Subjects