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Journal articles on the topic 'Photophysical Dynamics'

Author: Grafiati

Published: 7 September 2023

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1

Tam, Teck Lip Dexter, Ting Ting Lin, and Steven Lukman. "Understanding the Excited State Photophysics of Pyrrolopyrrole-Dione Isomers and Derivatives Using Time-Dependence Density Functional Theory." Journal of Molecular and Engineering Materials 05, no. 03 (September 2017): 1750009. http://dx.doi.org/10.1142/s2251237317500095.

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The ability to understand and predict excited state photophysics is vital for the development of photo- and electroluminescence materials, as well as light harvesting materials and photodynamic therapy. Herein, we demonstrate that single determinant time-dependent density functional theory can be computationally cost-effective and has the ability to explain both experimental singlet and triplet dynamics of pyrrolo[3,4-[Formula: see text]]pyrrole-1,4-dione and pyrrolo[3,2-b]pyrrole-2,5-dione isomers with intriguing photophysical properties. We also used the methodology to predict the photophysical properties of pyrrolo[3,4-c]pyrrole-1,3-dione and a hypothetical hybrid pyrrolo[3,4-b]pyrrole-2,4-dione isomers.

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2

Zanoni, Kassio P. S., Akitaka Ito, Malte Grüner, Neyde Y. Murakami Iha, and Andrea S. S. de Camargo. "Photophysical dynamics of the efficient emission and photosensitization of [Ir(pqi)2(NN)]+complexes." Dalton Transactions 47, no. 4 (2018): 1179–88. http://dx.doi.org/10.1039/c7dt03930a.

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Rational photophysical investigation through experimental and theoretical analyses reveals the photophysical dynamics of the highly-emissive [Ir(pqi)₂(NN)]⁺complex series, with remarkable emission quantum yields and efficient generation of singlet oxygen.

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3

Sanders, Samuel N., Elango Kumarasamy, Kealan J. Fallon, Matthew Y. Sfeir, and Luis M. Campos. "Singlet fission in a hexacene dimer: energetics dictate dynamics." Chemical Science 11, no. 4 (2020): 1079–84. http://dx.doi.org/10.1039/c9sc05066c.

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4

Singh, Ajay K., A. C. Bhasikuttan, Dipak K. Palit, and Jai P. Mittal. "Excited-State Dynamics and Photophysical Properties ofpara-Aminobenzophenone." Journal of Physical Chemistry A 104, no. 30 (August 2000): 7002–9. http://dx.doi.org/10.1021/jp9936188.

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5

Koo, Sangho, Yeong Hun Kim, Oliver Flender, Mirko Scholz, Kawon Oum, and Thomas Lenzer. "Photoinduced Dynamics of 13,13′-Diphenylpropyl-β-carotene." Molecules 28, no. 8 (April 16, 2023): 3505. http://dx.doi.org/10.3390/molecules28083505.

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Carotenoids are ubiquitous pigment systems in nature which are relevant to a range of processes, such as photosynthesis, but the detailed influence of substitutions at the polyene backbone on their photophysics is still underexplored. Here, we present a detailed experimental and theoretical investigation of the carotenoid 13,13′-diphenylpropyl-β-carotene using ultrafast transient absorption spectroscopy and steady-state absorption experiments in n-hexane and n-hexadecane, complemented by DFT/TDDFT calculations. In spite of their bulkiness and their potential capability to “fold back” onto the polyene system, which could result in π-stacking effects, the phenylpropyl residues have only a minor impact on the photophysical properties compared with the parent compound β-carotene. Ultrafast spectroscopy finds lifetimes of 200–300 fs for the S2 state and 8.3–9.5 ps for the S1 state. Intramolecular vibrational redistribution with time constants in the range 0.6–1.4 ps is observed in terms of a spectral narrowing of the S1 spectrum over time. We also find clear indications of the presence of vibrationally hot molecules in the ground electronic state (S0*). The DFT/TDDFT calculations confirm that the propyl spacer electronically decouples the phenyl and polyene π-systems and that the substituents in the 13 and 13′ positions point away from the polyene system.

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6

Eng, Julien, Stuart Thompson, Heather Goodwin, Dan Credgington, and Thomas James Penfold. "Competition between the heavy atom effect and vibronic coupling in donor–bridge–acceptor organometallics." Physical Chemistry Chemical Physics 22, no. 8 (2020): 4659–67. http://dx.doi.org/10.1039/c9cp06999b.

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The excited state properties and intersystem crossing dynamics of a series of donor–bridge–acceptor carbene metal-amides based upon the coinage metals Cu, Ag, Au, are investigated using quantum dynamics simulations and supported by photophysical characterisation.

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7

Ghosh, Rajib, and Biswajit Manna. "Comparative photophysics and ultrafast dynamics of dimethylaminochalcone and a structurally rigid derivative: experimental identification of TICT coordinate." Physical Chemistry Chemical Physics 19, no. 34 (2017): 23078–84. http://dx.doi.org/10.1039/c7cp03461j.

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8

Harada, Takaaki, Stephen F. Lincoln, and Tak W. Kee. "Excited-state dynamics of the medicinal pigment curcumin in a hydrogel." Physical Chemistry Chemical Physics 18, no. 40 (2016): 28125–33. http://dx.doi.org/10.1039/c6cp05648b.

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Curcumin is a yellow polyphenol with multiple medicinal effects. We show that excited-state intramolecular hydrogen atom transfer and solvent reorganisation are major photophysical events for curcumin in the PAAC18 hydrogel.

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9

Böhnke, Hendrik, Katharina Röttger, Rebecca A. Ingle, Hugo J. B. Marroux, Mats Bohnsack, Andrew J. Orr-Ewing, and Friedrich Temps. "Efficient intersystem crossing in 2-aminopurine riboside probed by femtosecond time-resolved transient vibrational absorption spectroscopy." Physical Chemistry Chemical Physics 20, no. 30 (2018): 20033–42. http://dx.doi.org/10.1039/c8cp02664e.

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10

Ortín-Fernández, Javier, Jesús González-Vázquez, Lara Martínez-Fernández, and Inés Corral. "Molecular Identification of the Transient Species Mediating the Deactivation Dynamics of Solvated Guanosine and Deazaguanosine." Molecules 27, no. 3 (February 1, 2022): 989. http://dx.doi.org/10.3390/molecules27030989.

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Small structural alterations of the purine/pyrimidine core have been related to important photophysical changes, such as the loss of photostability. Similarly to canonical nucleobases, solute-solvent interactions can lead to a change in the excited state lifetimes and/or to the interplay of different states in the photophysics of these modified nucleobases. To shed light on both effects, we here report a complete picture of the absorption spectra and excited state deactivation of deoxyguanosine and its closely related derivative, deoxydeazaguanosine, in water and methanol through the mapping of the excited state potential energy surfaces and molecular dynamics simulations at the TD-DFT level of theory. We show that the N by CH exchange in the imidazole ring of deoxyguanosine translates into a small red-shift of the bright states and slightly faster dynamics. In contrast, changing solvent from water to methanol implies the opposite, i.e., that the deactivation of both systems to the ground state is significantly hindered.

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11

Kim, Siin, Doo-Sik Ahn, Mina Ahn, Kyung-Ryang Wee, Jungkweon Choi, and Hyotcherl Ihee. "Charge transfer induced by electronic state mixing in a symmetric X–Y–X-type multi-chromophore system." Physical Chemistry Chemical Physics 22, no. 48 (2020): 28440–47. http://dx.doi.org/10.1039/d0cp05132b.

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12

Coppens, François, Johannes von Vangerow, Manuel Barranco, Nadine Halberstadt, Frank Stienkemeier, Martí Pi, and Marcel Mudrich. "Desorption dynamics of RbHe exciplexes off He nanodroplets induced by spin-relaxation." Physical Chemistry Chemical Physics 20, no. 14 (2018): 9309–20. http://dx.doi.org/10.1039/c8cp00482j.

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Doped He nanodroplets are ideal model systems to study elementary photophysical processes in hetero-nanostructures. Here we study the formation of free RbHe exciplexes from laser-excited Rb-doped He nanodroplets.

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13

Fauvell, Thomas J., Zhengxu Cai, Matthew S. Kirschner, Waleed Helweh, Pyosang Kim, Tianyue Zheng, Richard D. Schaller, Luping Yu, and Lin X. Chen. "Effects of Intra- and Interchain Interactions on Exciton Dynamics of PTB7 Revealed by Model Oligomers." Molecules 25, no. 10 (May 23, 2020): 2441. http://dx.doi.org/10.3390/molecules25102441.

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Recent studies have shown that molecular aggregation structures in precursor solutions of organic photovoltaic (OPV) polymers have substantial influence on polymer film morphology, exciton and charge carrier transport dynamics, and hence, the resultant device performance. To distinguish photophysical impacts due to increasing π-conjugation from chain lengthening and π–π stacking from single/multi chain aggregation in solution and film, we used oligomers of a well-studied charge transfer polymer PTB7 with different lengths as models to reveal intrinsic photophysical properties of a conjugated segment in the absence of inter-segment aggregation. In comparison with previously studied photophysical properties in polymeric PTB7, we found that oligomer dynamics are dominated by a process of planarization of the conjugated backbone into a quinoidal structure that resembles the self-folded polymer and that, when its emission is isolated, this quinoidal excited state resembling the planar polymer chain exhibits substantial charge transfer character via solvent-dependent emission shifts. Furthermore, the oligomers distinctly lack the long-lived charge separated species characteristic of PTB7, suggesting that the progression from charge transfer character in isolated chains to exciton splitting in neat polymer solution is modulated by the interchain interactions enabled by self-folding.

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14

Mandal, Sadananda, Lijo George, and Nikolai V. Tkachenko. "Charge transfer dynamics in CsPbBr3 perovskite quantum dots–anthraquinone/fullerene (C60) hybrids." Nanoscale 11, no. 3 (2019): 862–69. http://dx.doi.org/10.1039/c8nr08445a.

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An advantage of colloidal quantum dots, particularly perovskite quantum dots (PQDs), as photoactive components is that they easily form complexes with functional organic molecules, which results in hybrids with enriched photophysical properties.

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15

Yu-Sheng, DOU, LI Wei, YUAN Shuai, ZHANG Wen-Ying, LI An-Yang, SHU Kun-Xian, and TANG Hong. "Dynamics Simulation of Photophysical Deactivation Pathway for Stacked Thymines." Acta Physico-Chimica Sinica 27, no. 11 (2011): 2559–64. http://dx.doi.org/10.3866/pku.whxb20111115.

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16

Kopylova, T. N., V. V. Gruzinskii, K. M. Degtyarenko, A. N. Kitris, and E. N. Tel'minov. "Generation dynamics and photophysical processes in some organic compounds." Journal of Applied Spectroscopy 49, no. 4 (October 1988): 1009–11. http://dx.doi.org/10.1007/bf00657217.

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17

Martin, Joshua P., Natalie R. Fetto, and Matthew J. Tucker. "Comparison of biological chromophores: photophysical properties of cyanophenylalanine derivatives." Physical Chemistry Chemical Physics 18, no. 30 (2016): 20750–57. http://dx.doi.org/10.1039/c6cp04154j.

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Within this work, the family of cyanophenylalanine spectroscopic reporters is extended by showing the ortho and meta derivatives have intrinsic photophysical properties that are useful for studies of protein structure and dynamics.

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18

Losantos, Raul, Andreea Pasc, and Antonio Monari. "Don’t help them to bury the light. The interplay between intersystem crossing and hydrogen transfer in photoexcited curcumin revealed by surface-hopping dynamics." Physical Chemistry Chemical Physics 23, no. 43 (2021): 24757–64. http://dx.doi.org/10.1039/d1cp03617c.

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Curcumin is a natural compound extracted from turmeric (Curcuma longa), which has shown remarkable anti-inflammatory, antibacterial, and possibly anticancer properties; its photophysical properties are explored via non-adiabatic molecular dynamics.

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19

Gavvala, Krishna, Raj Kumar Koninti, Abhigyan Sengupta, and Partha Hazra. "Excited state proton transfer dynamics of an eminent anticancer drug, ellipticine, in octyl glucoside micelle." Phys. Chem. Chem. Phys. 16, no. 28 (2014): 14953–60. http://dx.doi.org/10.1039/c4cp01783h.

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Prototropical and photophysical properties of an anticancer drug, ellipticine, are explored inside the octyl-β-d-glucoside micelles using steady state and time-resolved fluorescence spectroscopic techniques.

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20

Rollins, Geoffrey C., Jae Yen Shin, Carlos Bustamante, and Steve Pressé. "Stochastic approach to the molecular counting problem in superresolution microscopy." Proceedings of the National Academy of Sciences 112, no. 2 (December 22, 2014): E110—E118. http://dx.doi.org/10.1073/pnas.1408071112.

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Superresolution imaging methods—now widely used to characterize biological structures below the diffraction limit—are poised to reveal in quantitative detail the stoichiometry of protein complexes in living cells. In practice, the photophysical properties of the fluorophores used as tags in superresolution methods have posed a severe theoretical challenge toward achieving this goal. Here we develop a stochastic approach to enumerate fluorophores in a diffraction-limited area measured by superresolution microscopy. The method is a generalization of aggregated Markov methods developed in the ion channel literature for studying gating dynamics. We show that the method accurately and precisely enumerates fluorophores in simulated data while simultaneously determining the kinetic rates that govern the stochastic photophysics of the fluorophores to improve the prediction’s accuracy. This stochastic method overcomes several critical limitations of temporal thresholding methods.

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21

Nyakuchena, James, Xiaoyi Zhang, and Jier Huang. "Synchrotron based transient x-ray absorption spectroscopy for emerging solid-state energy materials." Chemical Physics Reviews 4, no. 2 (June 2023): 021303. http://dx.doi.org/10.1063/5.0133227.

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The rational design of cutting-edge materials for an efficient solar energy conversion process is a challenging task, which demands a fundamental understanding of the mechanisms operative during the photoinduced physical and chemical reactions. In response to these issues, progress in the field has steered attention toward the use of time-resolved spectroscopic techniques to resolve the multiple intermediate species involved in these photoinduced reactions. Thanks to the advent of pump–probe technique, which leads to the development of various time-resolved spectroscopic methods, significant progress has been made in understanding the photophysical and photochemical properties (e.g., excited state dynamics, charge transfer mechanism, charge separation dynamics, etc.) of energy materials. Synchrotron-based x-ray transient absorption (XTA) spectroscopy is one of the most important time-resolved techniques to unravel the direct correlation of the material structure with their photophysical properties owing to its unique capability in directly observing electronic and structural evolution simultaneously. The aim of this work is to provide a systematic overview of the recent progress in using XTA for capturing the structural dynamics associated with excited state and charge separation dynamics in emerging solid-state energy materials.

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22

Wang, Suxiao, Alina Thorn, and Gareth Redmond. "Photophysical Probing of Dye Microenvironment, Diffusion Dynamics, and Energy Transfer." Journal of Physical Chemistry C 122, no. 12 (February 22, 2018): 6900–6911. http://dx.doi.org/10.1021/acs.jpcc.7b11166.

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23

Kim, Taeyeon, Juwon Oh, Hua-Wei Jiang, Takayuki Tanaka, Atsuhiro Osuka, and Dongho Kim. "Exciton coupling dynamics in syn- and anti-type β–β linked Zn(ii) porphyrin linear arrays." Physical Chemistry Chemical Physics 18, no. 33 (2016): 23105–10. http://dx.doi.org/10.1039/c6cp04269d.

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The photophysical properties of molecular arrays are strongly dependent on a variety of structural factors: the constituent chromophores, dihedral angle, linkage length, linkage position, the center-to-center distance between chromophores, and the linker itself.

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24

Bäppler, F., M. Zimmer, F. Dietrich, M. Grupe, M. Wallesch, D. Volz, S. Bräse, M. Gerhards, and R. Diller. "Photophysical dynamics of a binuclear Cu(i)-emitter on the fs to μs timescale, in solid phase and in solution." Physical Chemistry Chemical Physics 19, no. 43 (2017): 29438–48. http://dx.doi.org/10.1039/c7cp05791a.

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Photophysical analyses by applying different fs and ns time-resolved transient absorption and reflectivity spectroscopic methods to investigate fundamental processes in binuclear Cu(i) containing complexes.

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25

Yang, Qingqing, Xitong Li, Hao Tang, Youzhan Li, Yingying Fu, Zhanguo Li, and Zhiyuan Xie. "Ultrafast spectroscopic investigation of the effect of solvent additives on charge photogeneration and recombination dynamics in non-fullerene organic photovoltaic blends." Journal of Materials Chemistry C 8, no. 20 (2020): 6724–33. http://dx.doi.org/10.1039/d0tc00773k.

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26

Krystkowiak, E., R. A. Bachorz, and A. Maciejewski. "Hydrogen-bonded 4H-1-benzopyrane-4-thione–water complexes properties in the S2 excited state: the mechanism and dynamics of deactivation." Physical Chemistry Chemical Physics 18, no. 1 (2016): 492–502. http://dx.doi.org/10.1039/c5cp05427c.

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27

Niedzwiedzki, Dariusz M., Mojgan Kouhnavard, Yifan Diao, Julio M. D'Arcy, and Pratim Biswas. "Spectroscopic investigations of electron and hole dynamics in MAPbBr3 perovskite film and carrier extraction to PEDOT hole transport layer." Physical Chemistry Chemical Physics 23, no. 23 (2021): 13011–22. http://dx.doi.org/10.1039/d1cp00658d.

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Characterization of photophysical properties of MAPbBr₃ perovskite film with application of various static and time-resolved spectroscopies and evaluation of hole extraction process in the FTO/RVPP-PEDOT/MAPbBr₃ architecture.

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28

Sumsalee, Patthira, Laura Abella, Thierry Roisnel, Sabrina Lebrequier, Grégory Pieters, Jochen Autschbach, Jeanne Crassous, and Ludovic Favereau. "Axial and helical thermally activated delayed fluorescence bicarbazole emitters: opposite modulation of circularly polarized luminescence through intramolecular charge-transfer dynamics." Journal of Materials Chemistry C 9, no. 35 (2021): 11905–14. http://dx.doi.org/10.1039/d1tc03019a.

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The design of novel chiral donor–acceptor emitters based on C2-symmetric bicarbazoles is reported together with their photophysical and CPL properties, both displaying an interesting modulation as a function of the solvent polarity.

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29

Bräutigam, Maximilian, Maria Wächtler, Sven Rau, Jürgen Popp, and Benjamin Dietzek. "Photophysical Dynamics of a Ruthenium Polypyridine Dye Controlled by Solvent pH." Journal of Physical Chemistry C 116, no. 1 (December 16, 2011): 1274–81. http://dx.doi.org/10.1021/jp209103m.

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30

LaFemina, John P., Donald R. Carter, and Michael B. Bass. "Photophysical properties, intermolecular interactions, and molecular dynamics of poly(ethylene terephthalate)." Journal of Physical Chemistry 96, no. 6 (March 1992): 2767–72. http://dx.doi.org/10.1021/j100185a067.

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31

Saxena, Rishabh, Ayush Kumar, Nakul Jain, Naresh K. Kumawat, K. L. Narasimhan, and Dinesh Kabra. "Photophysical Model for Non-Exponential Relaxation Dynamics in Hybrid Perovskite Semiconductors." Journal of Physical Chemistry C 122, no. 2 (January 5, 2018): 1119–24. http://dx.doi.org/10.1021/acs.jpcc.7b11503.

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32

Wilson, William L., and T. W. Weidman. "Photophysical Dynamics of the [sgrave]-Delocalized Network Alkylpolysilynes: (R-Si)n." Molecular Crystals and Liquid Crystals 194, no. 1 (January 1991): 85–91. http://dx.doi.org/10.1080/00268949108041153.

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33

Cimino, Rita, Emanuela Gatto, Marta De Zotti, Fernando Formaggio, Claudio Toniolo, Micaela Giannetti, Antonio Palleschi, Carlos Serpa, and Mariano Venanzi. "Peptide-bridged bis-porphyrin compounds: A photophysical and molecular dynamics study." Journal of Photochemistry and Photobiology 16 (August 2023): 100191. http://dx.doi.org/10.1016/j.jpap.2023.100191.

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34

Gupta, Santosh K., P. S. Ghosh, C. Reghukumar, N. Pathak, and R. M. Kadam. "Experimental and theoretical approach to account for green luminescence from Gd2Zr2O7 pyrochlore: exploring the site occupancy and origin of host-dopant energy transfer in Gd2Zr2O7:Eu3+." RSC Advances 6, no. 50 (2016): 44908–20. http://dx.doi.org/10.1039/c6ra05113h.

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Origin of green emission in undoped Gd₂Zr₂O₇ and photophysical characteristics such as local site and energy transfer dynamics of Gd₂Zr₂O₇:Eu³⁺ is investigated using PL and DFT calculations.

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35

Wang, Dihao, Xiankun Li, Sheng Zhang, Lijuan Wang, Xiaojing Yang, and Dongping Zhong. "Revealing the origin of multiphasic dynamic behaviors in cyanobacteriochrome." Proceedings of the National Academy of Sciences 117, no. 33 (August 5, 2020): 19731–36. http://dx.doi.org/10.1073/pnas.2001114117.

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Cyanobacteriochromes are photoreceptors in cyanobacteria that exhibit a wide spectral coverage and unique photophysical properties from the photoinduced isomerization of a linear tetrapyrrole chromophore. Here, we integrate femtosecond-resolved fluorescence and transient-absorption methods and unambiguously showed the significant solvation dynamics occurring at the active site from a few to hundreds of picoseconds. These motions of local water molecules and polar side chains are continuously convoluted with the isomerization reaction, leading to a nonequilibrium processes with continuous active-site motions. By mutations of critical residues at the active site, the modified local structures become looser, resulting in faster solvation relaxations and isomerization reaction. The observation of solvation dynamics is significant and critical to the correct interpretation of often-observed multiphasic dynamic behaviors, and thus the previously invoked ground-state heterogeneity may not be relevant to the excited-state isomerization reaction.

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36

Renno, Giacomo, Francesca Cardano, Giorgio Volpi, Claudia Barolo, Guido Viscardi, and Andrea Fin. "Imidazo[1,5-a]pyridine-Based Fluorescent Probes: A Photophysical Investigation in Liposome Models." Molecules 27, no. 12 (June 16, 2022): 3856. http://dx.doi.org/10.3390/molecules27123856.

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Imidazo[1,5-a]pyridine is a stable scaffold, widely used for the development of emissive compounds in many application fields (e.g., optoelectronics, coordination chemistry, sensors, chemical biology). Their compact shape along with remarkable photophysical properties make them suitable candidates as cell membrane probes. The study of the membrane dynamics, hydration, and fluidity is of importance to monitor the cellular health and to explore crucial biochemical pathways. In this context, five imidazo[1,5-a]pyridine-based fluorophores were synthesized according to a one-pot cyclization between an aromatic ketone and benzaldehyde in the presence of ammonium acetate and acetic acid. The photophysical features of prepared compounds were investigated in several organic solvents and probes 2–4 exhibited the greatest solvatochromic behavior, resulting in a higher suitability as membrane probes. Their interaction with liposomes as artificial membrane model was tested showing a successful intercalation of the probes in the lipid bilayer. Kinetic experiments were carried out and the lipidic phase influence on the photophysical features was evaluated through temperature-dependent experiments. The results herein reported encourage further investigations on the use of imidazo[1,5-a]pyridine scaffold as fluorescent membrane probes.

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37

Wang, Li-Li, Su-Hong Peng, Hui Wang, Liang-Nian Ji, and Hai-Yang Liu. "Photophysical properties of free-base and manganese(iii) N-confused porphyrins." Physical Chemistry Chemical Physics 20, no. 30 (2018): 20141–48. http://dx.doi.org/10.1039/c8cp02223b.

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38

Iagatti, Alessandro, Barbara Patrizi, Andrea Basagni, Agnese Marcelli, Andrea Alessi, Stefano Zanardi, Roberto Fusco, Mario Salvalaggio, Laura Bussotti, and Paolo Foggi. "Photophysical properties and excited state dynamics of 4,7-dithien-2-yl-2,1,3-benzothiadiazole." Physical Chemistry Chemical Physics 19, no. 21 (2017): 13604–13. http://dx.doi.org/10.1039/c6cp08721c.

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The relationships between the photophysics and structural properties of 4,7-dithien-2-yl-2,1,3-benzothiadiazole as a function of solvent polarity are investigated both experimentally and by computational methods.

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39

Fresch, Elisa, and Elisabetta Collini. "The Role of H-Bonds in the Excited-State Properties of Multichromophoric Systems: Static and Dynamic Aspects." Molecules 28, no. 8 (April 18, 2023): 3553. http://dx.doi.org/10.3390/molecules28083553.

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Given their importance, hydrogen bonds (H-bonds) have been the subject of intense investigation since their discovery. Indeed, H-bonds play a fundamental role in determining the structure, the electronic properties, and the dynamics of complex systems, including biologically relevant materials such as DNA and proteins. While H-bonds have been largely investigated for systems in their electronic ground state, fewer studies have focused on how the presence of H-bonds could affect the static and dynamic properties of electronic excited states. This review presents an overview of the more relevant progress in studying the role of H-bond interactions in modulating excited-state features in multichromophoric biomimetic complex systems. The most promising spectroscopic techniques that can be used for investigating the H-bond effects in excited states and for characterizing the ultrafast processes associated with their dynamics are briefly summarized. Then, experimental insights into the modulation of the electronic properties resulting from the presence of H-bond interactions are provided, and the role of the H-bond in tuning the excited-state dynamics and the related photophysical processes is discussed.

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40

Khairutdinov, Rafail F., and James K. Hurst. "Photophysical Deactivation Dynamics of Excited Porphyrin Molecules Adsorbed onto Dihexadecyl Phosphate Vesicles." Journal of Physical Chemistry B 103, no. 18 (May 1999): 3682–86. http://dx.doi.org/10.1021/jp984701i.

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41

NORDIO, PIER, and ANTONINO POLIMENO. "Charge transfer dynamics in photophysical systems: a case of saddle point avoidance." Molecular Physics 88, no. 2 (June 10, 1996): 315–24. http://dx.doi.org/10.1080/00268979609482419.

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42

Yao, Yuhang, Hao-Yan Yin, Yingying Ning, Jian Wang, Yin-Shan Meng, Xinyue Huang, Wenkai Zhang, Lei Kang, and Jun-Long Zhang. "Strong Fluorescent Lanthanide Salen Complexes: Photophysical Properties, Excited-State Dynamics, and Bioimaging." Inorganic Chemistry 58, no. 3 (December 21, 2018): 1806–14. http://dx.doi.org/10.1021/acs.inorgchem.8b02376.

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43

Xu, Wei-Long, Meng-Si Niu, Xiao-Yu Yang, Peng-Qing Bi, Kang-Ning Zhang, Chao Xiong, Hong-Chun Yuan, Trevor A. Smith, Kenneth P. Ghiggino, and Xiao-Tao Hao. "Spatially Resolved Photophysical Dynamics in Perovskite Microplates Fabricated Using an Antisolvent Treatment." Journal of Physical Chemistry C 121, no. 47 (November 17, 2017): 26250–55. http://dx.doi.org/10.1021/acs.jpcc.7b09844.

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Förster, Ute, Christian Grünewald, Joachim W. Engels, and Josef Wachtveitl. "Ultrafast Dynamics of 1-Ethynylpyrene-Modified RNA: A Photophysical Probe of Intercalation." Journal of Physical Chemistry B 114, no. 35 (September 9, 2010): 11638–45. http://dx.doi.org/10.1021/jp103176q.

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Bertoncello, Paolo, Evangelos T. Kefalas, Zoe Pikramenou, Patrick R. Unwin, and Robert J. Forster. "Adsorption Dynamics and Electrochemical and Photophysical Properties of Thiolated Ruthenium 2,2‘-Bipyridine Monolayers." Journal of Physical Chemistry B 110, no. 20 (May 2006): 10063–69. http://dx.doi.org/10.1021/jp057276j.

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Latterini, L., G. Schweitzer, F. C. De Schryver, C. Moucheron, and A. Kirsch-De Mesmaeker. "Femtosecond transient dynamics of a heptametallic HAT–ruthenium(II) complex. A photophysical study." Chemical Physics Letters 281, no. 4-6 (December 1997): 267–71. http://dx.doi.org/10.1016/s0009-2614(97)01310-9.

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Singh, M. K., H. Pal, A. S. R. Koti, and A. V. Sapre. "Photophysical Properties and Rotational Relaxation Dynamics of Neutral Red Bound to β-Cyclodextrin." Journal of Physical Chemistry A 108, no. 9 (March 2004): 1465–74. http://dx.doi.org/10.1021/jp035075e.

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Pieczykolan, Michał, James B. Derr, Amara Chrayteh, Beata Koszarna, John A. Clark, Olena Vakuliuk, Denis Jacquemin, Valentine I. Vullev, and Daniel T. Gryko. "The Synthesis and Photophysical Properties of Weakly Coupled Diketopyrrolopyrroles." Molecules 26, no. 16 (August 5, 2021): 4744. http://dx.doi.org/10.3390/molecules26164744.

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Three centrosymmetric diketopyrrolopyrroles possessing either two 2-(2′-methoxyphenyl)benzothiazole or two 2-(2′-methoxyphenyl)benzoxazolo-thiophene scaffolds were synthesized in a straightforward manner, and their photophysical properties were investigated. Their emission was significantly bathochromically shifted as compared with that of simple DPPs reaching 650 nm. Judging from theoretical calculations performed with time-dependent density functional theory, in all three cases the excited state was localized on the DPP core and there was no significant CT character. Consequently, emission was almost independent of solvents’ polarity. DPPs possessing 2,5-thiophene units vicinal to DPP core play a role in electronic transitions, resulting in bathochromically shifted absorption and emission. Interestingly, as judged from transient absorption dynamics, intersystem crossing was responsible for the deactivation of the excited states of DPPs possessing para linkers but not in the case of dye bearing meta linker.

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Curchod, Basile. "(Invited, Digital Presentation) In silico Photochemical Experiments with Non-Born-Oppenheimer Molecular Dynamics." ECS Meeting Abstracts MA2022-01, no. 13 (July 7, 2022): 896. http://dx.doi.org/10.1149/ma2022-0113896mtgabs.

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What happens to a molecule once it has absorbed UV or visible light? How does the molecule release or convert the extra energy it just received? Answering these questions clearly goes beyond a pure theoretical curiosity, as photochemical and photophysical processes are central to numerous domains like energy conversion and storage, radiation damages in DNA, or atmospheric chemistry. Different theoretical tools have been developed to address these questions by simulating the excited-state dynamics of molecules [1]. Two examples of such methods include ab initio multiple spawning (AIMS) and trajectory surface hopping (TSH). AIMS describes the dynamics of nuclear wavepackets using adaptive linear combinations of traveling frozen Gaussians [2]. TSH portrays the nuclear dynamics with a swarm of independent classical trajectories that can hop between potential energy surfaces for this task [3]. In this talk, I intend to briefly survey some of our recent work aiming at understanding the approximations underlying AIMS [4] and developing new approximate techniques based on the multiple spawning framework [5]. I will also discuss the application of nonadiabatic methods to unravel photochemical and photophysical processes of interest for photovoltaics. References [1] F. Agostini and B. F. E. Curchod, WIREs Comput. Mol. Sci. 2019, 9, e1417. [2] B. F. E. Curchod and T. J. Martínez, Chem. Rev. 2018, 118, 3305. [3] J. C. Tully, J. Chem. Phys. 1990, 93, 1061. [4] B. Mignolet and B. F. E. Curchod, J. Chem. Phys. 2018, 148, 134110; B. Mignolet and B. F. E. Curchod, J. Phys. Chem. A 2019, 123, 3582; L. M. Ibele and B. F. E. Curchod, Phys. Chem. Chem. Phys. 2020, 22, 15183. [5] B. F. E. Curchod, W. J. Glover, T. J. Martínez, J. Phys. Chem. A 2020, 124, 6133.

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Jiang, Meizhen, Yuanyuan Zhang, Rongrong Hu, Yumeng Men, Lin Cheng, Pan Liang, Tianqing Jia, Zhenrong Sun, and Donghai Feng. "Methods for Obtaining One Single Larmor Frequency, Either v1 or v2, in the Coherent Spin Dynamics of Colloidal Quantum Dots." Nanomaterials 13, no. 13 (July 5, 2023): 2006. http://dx.doi.org/10.3390/nano13132006.

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The coexistence of two spin components with different Larmor frequencies in colloidal CdSe and CdS quantum dots (QDs) leads to the entanglement of spin signals, complicating the analysis of dynamic processes and hampering practical applications. Here, we explored several methods, including varying the types of hole acceptors, air or anaerobic atmosphere and laser repetition rates, in order to facilitate the obtention of one single Larmor frequency in the coherent spin dynamics using time-resolved ellipticity spectroscopy at room temperature. In an air or nitrogen atmosphere, manipulating the photocharging processes by applying different types of hole acceptors, e.g., Li[Et3BH] and 1-octanethiol (OT), can lead to pure spin components with one single Larmor frequency. For as-grown QDs, low laser repetition rates favor the generation of the higher Larmor frequency spin component individually, while the lower Larmor frequency spin component can be enhanced by increasing the laser repetition rates. We hope that the explored methods can inspire further investigations of spin dynamics and related photophysical processes in colloidal nanostructures.

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