title: A 2D solid-state NMR experiment to resolve overlapping aromatic resonances of thiophene-based nematogens.
abstract: In this study, we demonstrate the feasibility of resolving overlapping 13C chemical shift spectral lines of aromatic rings in a thiophene-based nematogen in the mesophase using a 2D PITANSEMA solid-state NMR method. This technique provided the information about chemical shift values as well as dipolar couplings that are used for determining the orientational order parameter. Large C-H dipolar coupling values measured for thiophene in contrast to phenyl rings suggest that the heterocyclic ring is not part of the molecular axis. Using the order parameter, we determined the orientation of C-H vectors of the thiophene ring. We believe that the 2D solid-state NMR can be extended to other types of liquid crystalline materials such as the banana-based mesogens for determining the orientational order and bent angle.
authors.affiliation: Biophysics Research Division and Department of Chemistry, University of Michigan, Ann Arbor, MI 48109-1055, USA.
authors.forename: Tanneru
authors.initials: T
authors.lastname: Narasimhaswamy
authors.forename: Dong-Kuk
authors.initials: DK
authors.lastname: Lee
authors.forename: Kazutoshi
authors.initials: K
authors.lastname: Yamamoto
authors.forename: Narayanasastri
authors.initials: N
authors.lastname: Somanathan
authors.forename: Ayyalusamy
authors.initials: A
authors.lastname: Ramamoorthy
mesh_terms: D001565:Benzoates / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D013876:Thiophenes / Q000737:chemistry*
chemical_list: D001565:Benzoates; D013876:Thiophenes