Article
Chemistry, Multidisciplinary
Kaia. R. R. Parenti, Rafi Chesler, Guiying He, Pritam Bhattacharyya, Beibei Xiao, Huaxi Huang, Daniel Malinowski, Jocelyn Zhang, Xiaodong Yin, Alok Shukla, Sumit Mazumdar, Matthew. Y. Y. Sfeir, Luis. M. M. Campos
Summary: Quantum interference is crucial in organic molecular electronics and can be predicted using graphical models. In this study, we investigated its application in intramolecular singlet-fission compounds and found that destructive interference leads to slower triplet pair formation.
Article
Chemistry, Multidisciplinary
Deepak Bansal, Arup Kundu, Vijay Pal Singh, Arun K. Pal, Ayan Datta, Jyotishman Dasgupta, Pritam Mukhopadhyay
Summary: This study reports the intramolecular singlet fission phenomenon in a push-pull cyclophane structure of NDI, which is not possible in individual NDI chromophores. Experimental and electronic structure calculations confirm the existence of the T-T pair state.
Article
Chemistry, Multidisciplinary
Jia-Mei Zeng, Qin Liu, Jing-Yi Zhao, Rui Deng, Yin-Feng Wang, Jiangen Huang, Zhi-Ru Li
Summary: By using theoretical computations, we have achieved a novel intramolecular self-redox switch named Rb3BeB6Be' Rb'(3), which is a boron-based sandwich-like complex. Under an applied oriented external electric field (OEEF), a long-range electron transfer occurs from the tetrahedral Be' Rb'(3) to Rb3Be, resulting in the formation of [Rb3Be](2+)[B-6](6-)[Be' Rb'(3)](4+) with high-performance switchable nonlinear optical (NLO) effect. Therefore, Rb3BeB6Be' Rb'(3) is a potential candidate for an intramolecular self-redox (IMSR) NLO switch.
Article
Chemistry, Multidisciplinary
Ke Liu, Jing Zhang, Qiyuan Shi, Liping Ding, Taihong Liu, Yu Fang
Summary: This study reports a new strategy for tuning excited-state intramolecular proton transfer (ESIPT) by incorporating an excited-state intramolecular charge transfer (ESICT) process. Three o-carborane derivatives were designed to selectively detect mustard gas simulant using film-based fluorescence sensing. This work provides a reliable strategy for creating high-performance sensing fluorophores via ESIPT manipulation.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Applied
Catia I. C. Esteves, Luis F. B. Fontes, A. Filipa N. Borges, Joao Rocha, Artur M. S. Silva, Samuel Guieu
Summary: It is discovered that 2'-aminochalcones with a strong push-pull character exhibit dual emission due to the Excited State Intramolecular Proton Transfer (ESIPT) between ketoenamine and enol-imine tautomers. The strength of hydrogen bonds is correlated with the tautomerization energy gap, depending on the electron donating or electron withdrawing group on the amine.
Article
Chemistry, Multidisciplinary
Siyi Luo, Zhen Xu, Fei Zhong, Hui Li, Lidong Chen
Summary: This review article revisits the fundamental principles and characterization methods of charge transfer mechanisms in molecular doping of organic semiconductors. It highlights the key points for the formation of integer charge transfer (ICT) and charge transfer complex (CTC) from both molecular structure and process engineering aspects. The strategies to improve the proportion of ICT are discussed, and the challenges and perspectives for future developments in molecular doping of polymer semiconductors are provided.
CHINESE CHEMICAL LETTERS
(2024)
Article
Spectroscopy
Jinfeng Zhao, Bing Jin, Zhe Tang
Summary: This study focuses on the specific excited state processes of BH-BA fluorophore, including the exploration of photo-induced hydrogen bonding geometrical changes, excited state intramolecular proton transfer (ESISPT) mechanism, and solvent polarity regulation. The results show that the hydrogen bonding strength in the S-1 state, particularly O-4-H-5···N-6, facilitates the ESIPT behavior. Photo-induced intramolecular charge transfer (ICT) and variations of charges related to hydrogen bonding moieties contribute to the ESIPT tendency. The ESISPT mechanism of BH-BA occurs along the O-4-H-5···N-6 hydrogen bonding wire and can be adjusted by surrounding solvent polarity.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Multidisciplinary Sciences
Rafal Orlowski, John A. Clark, James B. Derr, Eli M. Espinoza, Maximilian F. Mayther, Olga Staszewska-Krajewska, Jay R. Winkler, Hanna Jedrzejewska, Agnieszka Szumna, Harry B. Gray, Valentine Vullev, Daniel T. Gryko
Summary: This study elucidates the factors controlling charge transfer rates in relatively flexible conjugates and identifies a scorpion-shaped molecular architecture that promotes high-speed electron transfer and hole transfer. These findings are crucial for guiding the construction of effective donor-acceptor assemblies and understanding energy flows in biological systems.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Chemistry, Multidisciplinary
Chun-Hsiang Wang, Zong-Ying Liu, Chun-Hao Huang, Chao-Tsen Chen, Fan-Yi Meng, Yu-Chan Liao, Yi-Hung Liu, Chao-Che Chang, Elise Y. Li, Pi-Tai Chou
Summary: This study presents experimental observations on the excited-state intramolecular proton transfer (ESIPT) reaction of the thiol proton in room-temperature solution for the first time. The results indicate that all studied thiols undergo thermally favorable ESIPT, and the diethylamino electron-donating group extends pi-electron delocalization, primarily in the pi pi* configuration of the S-1' state, exhibiting significant tautomer emission.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Applied
Fang-Zhou Li, Xing-Yu Li, Wenjun Ni, Zhi-Wei Wu, Changwei Lin, Gagik G. Gurzadyan, Gui-Chao Kuang
Summary: By finely tuning various parameters, the novel donor-acceptor-donor (D-A-D') type of BODIPY derivative BDP-1 exhibited single component white light emission (WLE), achieved through the balance between aggregation and energy transfer (ET) and intramolecular charge transfer (CT).
Article
Materials Science, Multidisciplinary
Xin-Yu Qu, Ying Hong, Han Cai, Xu Sun, Qing Shen, Dong-Liang Yang, Xiao-Chen Dong, Ai-Hong Jiao, Peng Chen, Jin-Jun Shao
Summary: The development of pH-sensitive NIR dye BTN with robust photothermal conversion efficiency and lysosome-targeting capability, fabricated as NPs with amphiphilic polymers, demonstrates outstanding imaging-guided photothermal therapy for tumor ablation in tumor-bearing nude mice.
Article
Chemistry, Multidisciplinary
Vega Lloveras, Pilar Elias-Rodriguez, Luca Bursi, Ehsan Shirdel, Alejandro R. Goni, Arrigo Calzolari, Jose Vidal-Gancedo
Summary: This study reports the first demonstration of a surface molecular switch based on gold nanoparticles (AuNPs) decorated with persistent perchlorotriphenylmethyl (PTM) radicals. The redox properties of PTM are exploited to fabricate electrochemical switches with high stability and reversibility. The electronic interaction between the radicals and the gold surface is investigated and confirmed by multiple experimental techniques.
Article
Chemistry, Multidisciplinary
Renato Pereira Orenha, Saulo Samuel Pereira Furtado, Giovanni Finoto Caramori, Mauricio Jeomar Piotrowski, Alvaro Munoz-Castro, Renato Luis Tame Parreira
Summary: Anions are important in biological processes and chemical production. Compounds with halogen bond donors enhanced by hydrogen bonds have been studied regarding their interaction with anions. The presence of -NO2 groups enhance non-covalent bonds with Cl-. The improvement from a mono to double HBeXB system enhances anion recognition.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Physical
Yimin Zhang, Weite Meng, Daqiang Chen, Lili Zhang, Shunfang Li, Sheng Meng
Summary: This study investigates the ultrafast carrier dynamics in plasmon-mediated NH3 photodecomposition at the single-molecular level using real-time time-dependent density functional theory. NH3 molecules adsorbed on certain metal clusters split within a hundred femtoseconds upon laser pulse illumination, driven by intramolecular charge transfer induced by localized surface plasmon. The phase of laser pulse was found to modulate the dynamics of charge transfer and affect the plasmon-induced bond breaking, providing insights for designing highly efficient plasmon-mediated photocatalysts.
Article
Chemistry, Physical
Jong-Won Song, Kimihiko Hirao
Summary: In this study, we conducted calculations of intra- and intermolecular charge-transfer excitations in two molecules using different computational methods. The results showed that the alkane chain had minimal effect on the charge-transfer excitation energy, while the conjugated polyene chain reduced the excitation energy through delocalization.
CHEMICAL PHYSICS LETTERS
(2022)
Article
Chemistry, Organic
Justin J. Dressler, Sarah A. Miller, Brian T. Meeuwsen, Asia Marie S. Riel, Bart J. Dahl
Article
Chemistry, Organic
Heather A. Hintz, Nicholas J. Sortedahl, Samantha M. Meyer, Daniel A. Decato, Bart J. Dahl
TETRAHEDRON LETTERS
(2017)
Article
Chemistry, Organic
Nancy S. Mills, Francine E. Cheng, Joseph M. Baylan, Cornelia Tirla, Jennifer L. Hartmann, Kiran C. Patel, Bart J. Dahl, Sean P. McClintock
JOURNAL OF ORGANIC CHEMISTRY
(2011)
Article
Chemistry, Multidisciplinary
Bart J. Dahl, Nancy S. Mills
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2008)
Article
Chemistry, Organic
Bart J. Dahl, Nancy S. Mills
Article
Chemistry, Organic
Erin E. Prust, Erik J. Carlson, Bart J. Dahl
TETRAHEDRON LETTERS
(2012)
Article
Chemistry, Organic
Samantha M. Meyer, Eva M. Charlesworth-Seiler, Joel G. Patrow, Jonathan P. Kitzrow, Deidra L. Gerlach, Eric W. Reinheimer, Bart J. Dahl
Article
Chemistry, Organic
Justin J. Dressler, Eva M. Charlesworth-Seiler, Bart J. Dahl
TETRAHEDRON LETTERS
(2020)
Article
Chemistry, Organic
Bart J. Dahl, Bruce P. Branchaud
Article
Chemistry, Organic
Y Lin, BJ Dahl, BP Branchaud
TETRAHEDRON LETTERS
(2005)
Article
Chemistry, Organic
BJ Dahl, BP Branchaud
TETRAHEDRON LETTERS
(2004)
Article
Chemistry, Organic
Geeta Devi Yadav, Pooja Chaudhary, Balaram Pani, Surendra Singh
Summary: Chiral transition metal complexes with privileged ligands are efficient catalysts for various asymmetric organic transformations. Transition metal complexes of C1-symmetric pyrrolidine-based ligands have been widely used in asymmetric organic reactions. However, a comprehensive review article on the transition metal complexes of chiral C1-symmetric pyrrolidine-based ligands derived from (L)-proline has not been published.
TETRAHEDRON LETTERS
(2024)
