Molecular biaxiality determines the helical structure – infrared measurements of the molecular order in the nematic twist-bend phase of difluoro terphenyl dimer
Literature Information
Katarzyna Merkel, Barbara Loska, Chris Welch, Georg H. Mehl, Antoni Kocot
Fourier-transform infrared polarized spectroscopy was employed, to obtain the three components of the infrared absorbance for a series of bent-shaped dimers containing double fluorinated terphenyl core (DTC5Cn, n = 5, 7, 9, 11). The data were used to calculate both uniaxial and biaxial order parameters, for various molecular groups of dimers. The molecule bend was estimated based on the observed differences between the uniaxial order parameters for the terphenyl core and central hydrocarbon linker. The orientational order, distinctly reverses its monotonic trend of increase to decrease at the transition temperature, from the uniaxial nematic to the twist-bend nematic phase as result of the director tilt in latter/(twist-bend) phase. The molecular biaxiality, which is negligible in the nematic phase, starts increasing on entering the twist-bend nematic phase, following a sin-square relationships with the tilt angle. The local director curvature is found to be controlled by the molecular biaxiality parameter.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











![(2E)-4-[(1R,2S,8R,19S,21R)-14-Hydroxy-11-isopropenyl-8,23,23-trimethyl-5-(3-methyl-2-buten-1-yl)-16,20-dioxo-3,7,22-trioxaheptacyclo[17.4.1.1~8,12~.0~2,17~.0~2,21~.0~4,15~.0~6,13~]pentacosa-4(15),5,13
,17-tetraen-21-yl]-2-methyl-2-butenoic acid structure (2E)-4-[(1R,2S,8R,19S,21R)-14-Hydroxy-11-isopropenyl-8,23,23-trimethyl-5-(3-methyl-2-buten-1-yl)-16,20-dioxo-3,7,22-trioxaheptacyclo[17.4.1.1~8,12~.0~2,17~.0~2,21~.0~4,15~.0~6,13~]pentacosa-4(15),5,13
,17-tetraen-21-yl]-2-methyl-2-butenoic acid structure](https://static.chemtradehub.com/structs/173/173867-04-4-d2d3.webp)


