The role of intermolecular interactions in stabilizing the structure of the nematic twist-bend phase

Merkel, Katarzyna; Loska, Barbara; Welch, Chris; Mehl, Georg H.; Kocot, Antoni

Abstract

The understanding of the relationship between molecular structure and the formation of the nematic twist-bend phase is still at an early stage of development. This is mainly related to molecular geometry, while the correlation between the nematic twist-bend phase and the electronic structure is ambiguous. To explore the electronic effect on properties and stabilization of the nematic twist-bend phase we investigated 2′,3′-difluoro-4,4′′-dipentyl-p-terphenyl dimers (DTC5Cn). We used polarized fourier transform infrared spectroscopy, which can, at least in principle, provide information about the ordering in the twist-bend phase. All dimers show a significant drop in the average value of the transition dipole moment for parallel dipoles at the transition from the nematic to the twist-bend phase, and an increase for perpendicular dipoles, despite remaining unchanged for the monomer. Density functional theory calculations were used to determine the geometric and electronic properties of the hydrogen bonded complexes. We have provided experimental and theoretical evidence of stabilization of the nematic twist-bend phase by arrays of multiple hydrogen bonds (XF⋯HX, X-benzene ring). This journal is

Citation

Merkel, K., Loska, B., Welch, C., Mehl, G. H., & Kocot, A. (2021). The role of intermolecular interactions in stabilizing the structure of the nematic twist-bend phase. RSC advances, 11(5), 2917-2925. https://doi.org/10.1039/d0ra10481g

• Journal Article Type: Article
• Acceptance Date: Jan 4, 2021
• Online Publication Date: Jan 13, 2021
• Publication Date: 2021
• Deposit Date: Jan 14, 2021
• Publicly Available Date: Jan 15, 2021
• Journal: RSC Advances
• Print ISSN: 2046-2069
• Electronic ISSN: 2046-2069
• Publisher: Royal Society of Chemistry
• Peer Reviewed: Peer Reviewed
• Volume: 11
• Issue: 5
• Pages: 2917-2925
• DOI: https://doi.org/10.1039/d0ra10481g
• Keywords: General Chemistry; General Chemical Engineering
• Public URL: https://hull-repository.worktribe.com/output/3694098
• Publisher URL: https://pubs.rsc.org/en/content/articlelanding/2021/RA/D0RA10481G#!divAbstract