%0 Journal Article %1 WOS:000381717500043 %A Singh, Swapnil %A Deb, Rahul %A Chakraborty, Nirmalangshu %A Singh, Harshita %A Gupta, Vineet %A Sinha, Kirti %A Tandon, Poonam %A Omelchenko, Myroslava %A Rao, Nandiraju Venkata Satyanarayana %A Ayala, Alejandro Pedro %C THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND %D 2016 %I ROYAL SOC CHEMISTRY %J NEW JOURNAL OF CHEMISTRY %K imported %N 8 %P 6834-6847 %R 10.1039/c6nj00892e %T A combined experimental and theoretical approach to study SmC -> N-cybc phase transition in a four-ring bent-core liquid crystal %V 40 %X A newly synthesized four-ring bent-core liquid crystal (BCLC) has been studied using experimental and quantum chemical approach. Differential scanning calorimetry (DSC), polarised optical microscopy (POM), and X-ray investigations were carried out to identify the phase transitions and associated phases. DSC along with POM revealed four phase transitions i.e. Cr -> SmX -> SmC -> N-cybc -> Iso in the temperature range from 30 degrees C to 180 degrees C. The existence of smectic C like fluctuations also known as cybotactic groups in the broad temperature range of the nematic phase was confirmed by small angle X-ray diffraction. Conformational and vibrational analyses have been performed using density functional theory (DFT), to identify the most stable conformer having a bent shape. Analysis of the potential energy surface (PES) for different torsional angles revealed the most probable conformational states for the BCLC. Temperature dependent Fourier transform infrared (TD-FTIR) spectroscopy is used to study phase transitions and revealed marked changes in the spectral tine shape especially the vibrations of OH, CH2, CH3

@article{WOS:000381717500043, abstract = {A newly synthesized four-ring bent-core liquid crystal (BCLC) has been studied using experimental and quantum chemical approach. Differential scanning calorimetry (DSC), polarised optical microscopy (POM), and X-ray investigations were carried out to identify the phase transitions and associated phases. DSC along with POM revealed four phase transitions i.e. Cr -> SmX -> SmC -> N-cybc -> Iso in the temperature range from 30 degrees C to 180 degrees C. The existence of smectic C like fluctuations also known as cybotactic groups in the broad temperature range of the nematic phase was confirmed by small angle X-ray diffraction. Conformational and vibrational analyses have been performed using density functional theory (DFT), to identify the most stable conformer having a bent shape. Analysis of the potential energy surface (PES) for different torsional angles revealed the most probable conformational states for the BCLC. Temperature dependent Fourier transform infrared (TD-FTIR) spectroscopy is used to study phase transitions and revealed marked changes in the spectral tine shape especially the vibrations of OH, CH2, CH3}, added-at = {2022-05-23T20:00:14.000+0200}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, author = {Singh, Swapnil and Deb, Rahul and Chakraborty, Nirmalangshu and Singh, Harshita and Gupta, Vineet and Sinha, Kirti and Tandon, Poonam and Omelchenko, Myroslava and Rao, Nandiraju Venkata Satyanarayana and Ayala, Alejandro Pedro}, biburl = {https://www.bibsonomy.org/bibtex/24cda23189d070bdc397e07f8394938e6/ppgfis_ufc_br}, doi = {10.1039/c6nj00892e}, interhash = {04dfdbd8fa5d2cd20e6a2f412b1fb4ec}, intrahash = {4cda23189d070bdc397e07f8394938e6}, issn = {1144-0546}, journal = {NEW JOURNAL OF CHEMISTRY}, keywords = {imported}, number = 8, pages = {6834-6847}, publisher = {ROYAL SOC CHEMISTRY}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {A combined experimental and theoretical approach to study SmC -> N-cybc phase transition in a four-ring bent-core liquid crystal}, tppubtype = {article}, volume = 40, year = 2016 }