Neutron Vibrational Spectroscopy Gives New Insights into the Structure of Poly(p-phenylene terephthalamide)
Citations Over TimeTop 11% of 2005 papers
Abstract
The vibrational spectra of benzanilide and poly(p-phenylene terephthalamide) have been measured using inelastic neutron scattering. These compounds have similar hydrogen-bond networks, which, for poly(p-phenylene terephthalamide), lead to two-dimensional hydrogen-bonded sheets in the crystal. Experimental spectra are compared with solid-state, quantum chemical calculations based on density functional theory (DFT). Such "parameter-free" calculations allow the structure-dynamics relation in this type of compound to be quantified, which is demonstrated here for benzanilide. In the case of poly(p-phenylene terephthalamide), vibrational spectroscopy and DFT calculations help resolve long-standing questions about the packing of hydrogen-bonded sheets in the solid state.
Related Papers
- → Photoinduced energy transfer in composites of poly[(p-phenylene-1,2-vinylene)-co-(p-phenylene-1,1-vinylidene)] and single-walled carbon nanotubes(2007)29 cited
- → Effect of the side chain structure on the glass transition temperature(1988)16 cited
- → Polymorphic behaviour of poly[oxyoctanedioyloxy‐1,4‐phenylene‐(1‐methylvinylene)‐1,4‐phenylene] and poly[oxydecanedioyloxy‐1,4‐phenylene‐(1‐methylvinylene)‐1,4‐phenylene](1982)18 cited
- → Calculated heats of formation and strength of bonds in poly(naphthylene sulphides), poly(phenylene sulphides), poly(phenylene oxides) and poly(phenylene ketones)(1988)1 cited
- → Preparation and Applications of poly(p-phenylene)s and poly(phenylene sulfide)s(2017)