95217-14-4Relevant academic research and scientific papers
Dynamics of Cetyltrimethylammonium Bromide Head Groups in Bulk by Solid-State Deuterium NMR Spectroscopy
Maddumaarachchi, Madhubhashini,Arachchige, Yohan L. N. Mathota,Zhang, Tan,Blum, Frank D.
, p. 11058 - 11065 (2018/09/25)
Variable temperature, solid-state deuterium (2H) NMR spectroscopy has been used to probe the rather complex head group dynamics of the surfactant cetyltrimethylammonium bromide-d9 (CTAB-d9) in bulk. Heating and cooling runs were made as the surfactant underwent supercooling. 2H NMR line shape simulations were used to identify the hierarchy of the molecular motions of CTAB as a function of temperature. Fast continuous methyl rotations about the N-Cmethyl axes and 3-fold jumps about the main chain C-N axis were present at all of the temperatures from -40 to 120 °C. With heating, the spectra were consistent with CTAB molecules starting 180° flips about the hydrocarbon chain molecular axis around 0 °C, which continued to flip with increasing flip rates up to 80 °C. At 90 °C, the flips changed to rotation of the CTAB molecules about the hydrocarbon chain axis and that rotation continued to 120 °C. Comparison of spectra of bulk CTAB at different temperatures from heating and cooling runs revealed that the rotation about the long axis of the hydrocarbon chains started at around 90 °C on heating, however, it does not freeze out until between 70 and 80 °C because of supercooling.
Neutron Reflection from Hexadecyltrimethylammonium Bromide Adsorbed at the Air/Liquid Interface: The Variation of the Hydrocarbon Chain Distribution with Surface Concentration
Lu, J. R.,Hromadova, M.,Simister, E. A.,Thomas, R. K.,Penfold, J.
, p. 11519 - 11526 (2007/10/02)
We have determined the structure of a monolayer of hexadecyltrimethylammonium bromide adsorbed at the air/water interface at its critical micelle concentration (9.2 x 10-4 M) and at two lower concentrations using neutron specular reflection.We have used isotopic labeling to determine the relative positions of chains, heads, and solvent, and more detailed labeling to determine the distributions of C6 chain fragments at either end of the alkyl chains.The use of the more detailed labeling scheme has allowed us to make a quantitative estimate of the contribution of surface roughness to the structure of the layer at the three concentrations, to show that the alkyl chains are, on average, strongly tilted away from the surface normal but that the part of the alkyl chain next to the head group is less tilted.The different tilt angle distributions for the two ends of the hydrocarbon chain also indicate that there are gauche defects in the chain.
