(<i>R</i>)- and (<i>S</i>)-2,2′-Bis(bis(3,5-dimethylphenyl)phosphanyl)-1,1′-binaphthalene

McWilliams, J. Christopher

doi:10.1002/047084289x.rn01856

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“…As such, measuring the polymorphic phase behavior in response to static high-pressure conditions is necessary to reveal basic details regarding molecular deformation, interactions, and decomposition under pressure, thus yielding a better understanding of the basic chemistry under application of extreme conditions, as is found in detonation. This work is part of a continuing series that focuses on the development of a deeper understanding of the high pressure characteristics of high nitrogen materials [1,8,10,[14][15]. In this respect, this report will focus on the structural stability and vibrational behavior of 5,5'-Hydrazinebistetrazole (HBTA), shown in Figure 1.…”

Section: Introductionmentioning

confidence: 99%

Shear induced weakening of the hydrogen bonding lattice of the energetic material 5,5′-Hydrazinebistetrazole at high-pressure

Jenkins

2017

Journal of Molecular Structure

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5,5'-Hydrazinebistetrazole (HBTA) has been studied by in-situ x-ray diffraction and vibrational spectroscopy to pressures near 25 GPa at room temperature. Analysis of the x-ray diffraction pattern of HBTA collected at ambient pressure and temperature revealed a monoclinic structure consistent with that previously reported. Under compression, the x-ray diffraction reveals little evidence of a phase transition over the pressure range studied. Slight anisotropy in response to compression was noted and the β angle decreased moderately, suggesting geometry modifications occur in the hydrogen bonding lattice and between neighboring HBTA molecules as a result of compression along the c axis. Blue shifts in the Infrared active N-H stretching modes were observed, implying a weakening of the hydrogen bond with compression. The weakening of the hydrogen bonding lattice with pressure may lead to an increase in the bending angle of the C-N=N-C bridge between the tetrazole rings and an increased overlap between the π-bonding orbitals. The Raman spectra showed a number of modes associated with HNNH motions of the bridge become more prominent in the spectra under compression. Additionally, the possibility that the increased bend in the angle of the C-N=N-C bridge results from a shearing deformation is discussed.

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Section: Introductionmentioning

confidence: 99%

Shear induced weakening of the hydrogen bonding lattice of the energetic material 5,5′-Hydrazinebistetrazole at high-pressure

Jenkins

2017

Journal of Molecular Structure

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(R)- and (S)-2,2′-Bis(bis(3,5-dimethylphenyl)phosphanyl)-1,1′-binaphthalene

Cited by 1 publication

References 81 publications

Shear induced weakening of the hydrogen bonding lattice of the energetic material 5,5′-Hydrazinebistetrazole at high-pressure

Shear induced weakening of the hydrogen bonding lattice of the energetic material 5,5′-Hydrazinebistetrazole at high-pressure

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