Photophysical Properties of Chiral Tetraphenylethylene Derivatives with the Fixed Propeller-Like Conformation
3
College of Resource and Environmental Science, Jilin Agricultural University, Changchun, 130118 Jilin, China
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Publication type: Journal Article
Publication date: 2018-02-22
scimago Q1
wos Q3
SJR: 0.914
CiteScore: 6.2
Impact factor: 3.2
ISSN: 19327447, 19327455
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Physical and Theoretical Chemistry
General Energy
Abstract
The recent synthesized helical tetraphenylethylene (TPE) exhibits broad application prospects such as display, catalysis, and medical imaging. A full understanding of the intricate relation between structure and property is rather important to structural design and performance improvement. Here, we employed density functional theory (DFT) and time-dependent DFT to calculate their ground- and excited-state structures, electron transition properties, optical rotation (OR), and second-order nonlinear optical (NLO) properties. For compound 1, the simulated UV–vis/CD spectra and calculated OR value are in reasonable agreement with the experimental ones, allowing us to reliably assign the electron transition and determine the absolute configuration. Intriguingly, TPE derivatives are excellent candidates for the second-order NLO materials in view of the large first hyperpolarizability values and intrinsic asymmetric structures. The intramolecular charge transfer cooperativity for this kind of compound was achiev...
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16
Total citations:
16
Citations from 2025:
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(6.25%)
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GOST
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Liu C. et al. Photophysical Properties of Chiral Tetraphenylethylene Derivatives with the Fixed Propeller-Like Conformation // Journal of Physical Chemistry C. 2018. Vol. 122. No. 9. pp. 5032-5039.
GOST all authors (up to 50)
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Liu C., Yang G., Si Y., Pan X. Photophysical Properties of Chiral Tetraphenylethylene Derivatives with the Fixed Propeller-Like Conformation // Journal of Physical Chemistry C. 2018. Vol. 122. No. 9. pp. 5032-5039.
Cite this
RIS
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TY - JOUR
DO - 10.1021/acs.jpcc.7b11647
UR - https://doi.org/10.1021/acs.jpcc.7b11647
TI - Photophysical Properties of Chiral Tetraphenylethylene Derivatives with the Fixed Propeller-Like Conformation
T2 - Journal of Physical Chemistry C
AU - Liu, Chunyu
AU - Yang, Guochun
AU - Si, Yanling
AU - Pan, Xiumei
PY - 2018
DA - 2018/02/22
PB - American Chemical Society (ACS)
SP - 5032-5039
IS - 9
VL - 122
SN - 1932-7447
SN - 1932-7455
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2018_Liu,
author = {Chunyu Liu and Guochun Yang and Yanling Si and Xiumei Pan},
title = {Photophysical Properties of Chiral Tetraphenylethylene Derivatives with the Fixed Propeller-Like Conformation},
journal = {Journal of Physical Chemistry C},
year = {2018},
volume = {122},
publisher = {American Chemical Society (ACS)},
month = {feb},
url = {https://doi.org/10.1021/acs.jpcc.7b11647},
number = {9},
pages = {5032--5039},
doi = {10.1021/acs.jpcc.7b11647}
}
Cite this
MLA
Copy
Liu, Chunyu, et al. “Photophysical Properties of Chiral Tetraphenylethylene Derivatives with the Fixed Propeller-Like Conformation.” Journal of Physical Chemistry C, vol. 122, no. 9, Feb. 2018, pp. 5032-5039. https://doi.org/10.1021/acs.jpcc.7b11647.