@Article{JAMS-8-157, author = {}, 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} }