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
%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
}