Volume 8, Issue 4
Theoretical Studies on One-Photon and Two-Photon Absorption Properties of Platinum Acetylide Complexes

Guan-Qun Xue, Wen-Hui Pu, Hui-Chen Si, Mei Wang, Tong Xin & Jing Li

J. At. Mol. Sci., 8 (2017), pp. 157-161.

Published online: 2017-08

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  • Abstract

The one-photon and two-photon absorption properties of platinum acetylide complexes that feature hightly π-congugated ligands substituted with π-donor or π-acceptor moieties are investigated by use of the analytic response theory at DFT level. The numerical results show that these molecules have relatively strong two-photon absorption activities. While the platium insert into the ligands, TPA cross sections of the metal compounds are significantly enhanced. Metal clusters can also extend the π-conjugated length, which plays an important role in increasing the TPA cross section. Moreover, the NLO properties of metal clusters can be enhanced by the introduction of metal→ligand and ligand→metal charge-transfer states. The charge-transfer process is analyzed when the molecule is excited from the ground state to charge-transfer state.

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@Article{JAMS-8-157, author = {Guan-Qun Xue, Wen-Hui Pu, Hui-Chen Si, Mei Wang, Tong Xin and Jing Li}, title = {Theoretical Studies on One-Photon and Two-Photon Absorption Properties of Platinum Acetylide Complexes}, journal = {Journal of Atomic and Molecular Sciences}, year = {2017}, volume = {8}, number = {4}, pages = {157--161}, abstract = {

The one-photon and two-photon absorption properties of platinum acetylide complexes that feature hightly π-congugated ligands substituted with π-donor or π-acceptor moieties are investigated by use of the analytic response theory at DFT level. The numerical results show that these molecules have relatively strong two-photon absorption activities. While the platium insert into the ligands, TPA cross sections of the metal compounds are significantly enhanced. Metal clusters can also extend the π-conjugated length, which plays an important role in increasing the TPA cross section. Moreover, the NLO properties of metal clusters can be enhanced by the introduction of metal→ligand and ligand→metal charge-transfer states. The charge-transfer process is analyzed when the molecule is excited from the ground state to charge-transfer state.

}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.110217.121017a}, url = {http://global-sci.org/intro/article_detail/jams/12560.html} }
TY - JOUR T1 - Theoretical Studies on One-Photon and Two-Photon Absorption Properties of Platinum Acetylide Complexes AU - Guan-Qun Xue, Wen-Hui Pu, Hui-Chen Si, Mei Wang, Tong Xin & Jing Li JO - Journal of Atomic and Molecular Sciences VL - 4 SP - 157 EP - 161 PY - 2017 DA - 2017/08 SN - 8 DO - http://doi.org/10.4208/jams.110217.121017a UR - https://global-sci.org/intro/article_detail/jams/12560.html KW - AB -

The one-photon and two-photon absorption properties of platinum acetylide complexes that feature hightly π-congugated ligands substituted with π-donor or π-acceptor moieties are investigated by use of the analytic response theory at DFT level. The numerical results show that these molecules have relatively strong two-photon absorption activities. While the platium insert into the ligands, TPA cross sections of the metal compounds are significantly enhanced. Metal clusters can also extend the π-conjugated length, which plays an important role in increasing the TPA cross section. Moreover, the NLO properties of metal clusters can be enhanced by the introduction of metal→ligand and ligand→metal charge-transfer states. The charge-transfer process is analyzed when the molecule is excited from the ground state to charge-transfer state.

Guan-Qun Xue, Wen-Hui Pu, Hui-Chen Si, Mei Wang, Tong Xin and Jing Li. (2017). Theoretical Studies on One-Photon and Two-Photon Absorption Properties of Platinum Acetylide Complexes. Journal of Atomic and Molecular Sciences. 8 (4). 157-161. doi:10.4208/jams.110217.121017a
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