{"data":{"id":"10.6084/m9.figshare.c.2853268","type":"dois","attributes":{"doi":"10.6084/m9.figshare.c.2853268","prefix":"10.6084","suffix":"m9.figshare.c.2853268","identifiers":[],"alternateIdentifiers":[],"creators":[{"name":"Mandadhi Guruprasad Reddy","affiliation":[],"nameIdentifiers":[]},{"name":"Nitin P. Lobo","affiliation":[],"nameIdentifiers":[]},{"name":"T. Narasimhaswamy","affiliation":[],"nameIdentifiers":[]}],"titles":[{"title":"Structural assignment and molecular order of three-ring mesogen by \u003csup\u003e13\u003c/sup\u003eC NMR spectroscopy in mesophase"}],"publisher":"Figshare","container":{},"publicationYear":2016,"subjects":[{"subject":"Biophysics"},{"subject":"Biochemistry"},{"subject":"29999 Physical Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Physical sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Physical sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Genetics"},{"subject":"FOS: Biological sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Biological sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Neuroscience"},{"subject":"Biotechnology"},{"subject":"Evolutionary Biology"},{"subject":"39999 Chemical Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Chemical sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Chemical sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Immunology"},{"subject":"FOS: Clinical medicine","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Clinical medicine","subjectScheme":"Fields of Science and Technology (FOS)"}],"contributors":[],"dates":[{"date":"2016-03-08","dateType":"Created"},{"date":"2016-05-17","dateType":"Updated"},{"date":"2016","dateType":"Issued"}],"language":null,"types":{"ris":"GEN","bibtex":"misc","citeproc":"article","schemaOrg":"Collection","resourceType":"Collection","resourceTypeGeneral":"Collection"},"relatedIdentifiers":[],"relatedItems":[],"sizes":[],"formats":[],"version":null,"rightsList":[{"rights":"CC-BY","rightsUri":"http://creativecommons.org/licenses/by/3.0/us"}],"descriptions":[{"description":"A homologous series of rod-like molecules with three phenyl rings in the core and terminal alkoxy chains are synthesised from mesogenic two-ring aldehyde by coupling with non-mesogenic 4-alkoxy anilines. The mesophase properties are evaluated with hot-stage optical polarising microscopy and differential scanning calorimetry, and accordingly, all the molecules exhibited enantiotropic nematic and smectic C phases along with monotropic low-temperature smectic phases. For a representative homologue, the existence of smectic C phase is further confirmed by noticing a sharp reflection at small angle region in powder X-ray diffraction which varies with change in temperature. The main focus of the investigation, however, is the clear demonstration of chemical shift assignment of static \u003csup\u003e13\u003c/sup\u003eC NMR of a representative three-phenyl ring mesogen in smectic C phase. In this novel approach, the static \u003csup\u003e13\u003c/sup\u003eC NMR spectral data of synthetic mesogenic intermediate namely two-ring aldehyde are utilised for the chemical shift assignment of three-ring mesogens. Further, the orientational order parameter of two-ring aldehyde in smectic A and three-ring mesogen in smectic C phase is carried out by measuring the \u003csup\u003e13\u003c/sup\u003eC-\u003csup\u003e1\u003c/sup\u003eH dipolar couplings by 2D separated local field spectroscopy.","descriptionType":"Abstract"}],"geoLocations":[],"fundingReferences":[],"xml":"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