A cationic naphthyl derivative defies the non-equilibrated excited rotamers principle
Literature Information
A. Cesaretti, B. Carlotti, F. Elisei, C. G. Fortuna, G. Consiglio, A. Spalletti
The ground and excited state properties of 1-methyl-2-[(E)-2-(2-naphthyl) vinyl]pyridinium iodide have been investigated in solvents of different polarities and viscosities using stationary and ultrafast time resolved spectroscopic techniques supported by density functional theory (DFT) calculations. The investigated compound shows an important negative solvatochromism, which serves as evidence of a certain push–pull character exhibited upon photoexcitation, but the most remarkable feature is an extremely large absorption spectrum, as opposed to the narrower emission band. Interestingly, both experiments and calculations have revealed a conformational disorder in the ground state between four quasi-isoenergetic rotamers which contribute to the broad absorption spectrum. These equilibria are shifted towards one prevailing species in the excited state, pointing out an unexpected and efficient rotamer interconversion during the S1 lifetime, manifestly against the non-equilibrated excited rotamers principle. The rotamer interconversion has been found to be very fast and only hindered in a rigid matrix at low temperatures.
Related Literature
Construction of biodegradable core cross-linked nanoparticles from near infrared dyes encoded in polyprodrug amphiphiles and investigation of their synergistic anticancer activity
Xiaoxu Mao, Shoukui Hu, Ke Shang, Guangwei Yang, Jinhao Yan, Chao Ma, Jun Yin
DOI: 10.1039/D1PY00128K
Helical polymer self-assembly and chiral nanostructure formation
Randall A. Scanga, James F. Reuther
DOI: 10.1039/D0PY01558J
Novel carbazole-acridine-based hole transport polymer for low turn-on voltage of green quantum dot light-emitting diodes
Chai Won Kim, Ji Hye Lee, Seunguk Cho, Hyung Jong Kim, Jinhyo Hwang, Yong Woo Kim, Dae Hyuk Choi, Min Ju Cho, Kwangyeol Lee, Dong Hoon Choi
DOI: 10.1039/D1PY00497B
Practical phosphorylation of polymers: an easy access to fully alcohol soluble synthetically and industrially important polymers
Gokhan Sagdic, Ozgun Daglar, Ufuk Saim Gunay, Emrah Cakmakci, Gurkan Hizal, Umit Tunca, Hakan Durmaz
DOI: 10.1039/D1PY00726B
Impact of side reactions on molar mass distribution, unsaturation level and branching density in solution free radical polymerization of n-butyl acrylate under well-defined lab-scale reactor conditions
Mariya Edeleva, Yoshi W. Marien, Paul H. M. Van Steenberge
DOI: 10.1039/D1PY00151E
Synthetic approaches for copolymers containing nucleic acids and analogues: challenges and opportunities
Hao Lu, Jiansong Cai, Ke Zhang
DOI: 10.1039/D0PY01707H
Cross-linked polyurethane with dynamic phenol-carbamate bonds: properties affected by the chemical structure of isocyanate
Jiaxin Shi, Tianze Zheng, Yao Zhang, Baohua Guo, Jun Xu
DOI: 10.1039/D1PY00157D
You might also like
What precautions should be taken when handling 4-(2-Furylmethyl)thiomorpholine 1,1-dioxide (CAS: 79206-94-3)?
When handling 4-(2-Furylmethyl)thiomorpholine 1,1-dioxide (CAS: 79206-94-3), it ...
What precautions should be taken when handling 4-Chloro-N-[2-(4-morpholinyl)ethyl]benzamide (CAS: 71320-77-9)?
When handling 4-Chloro-N-[2-(4-morpholinyl)ethyl]benzamide (CAS: 71320-77-9), it...
How should waste containing 2-[2-(2-Methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate (CAS: 62921-74-8) be handled?
Waste containing this compound (CAS: 62921-74-8) should be handled according to ...
How should waste containing (S)-Methyl 2-amino-3-cyclohexylpropanoate be handled?
Waste containing (S)-Methyl 2-amino-3-cyclohexylpropanoate should be collected i...
How is 5-({4-[(2S,4R)-4-Hydroxy-2-methyltetrahydro-2H-pyran-4-yl]-2-thienyl}sulfanyl)-1-methyl-1,3-dihydro-2H-indol-2-one (CAS: 166882-70-8) typically synthesized?
This compound can be synthesized using a multi-step process involving the conjug...
Are there alternatives to (2E)-3-(3,4-Dichlorophenyl)acrylic acid (CAS: 7312-27-8) in synthesis?
There are several alternatives to (2E)-3-(3,4-Dichlorophenyl)acrylic acid in syn...
How should Ethyl 6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (CAS: 925437-84-9) be stored?
Ethyl 6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (CAS: 925437-84...
How should waste containing 2-(1,3-Thiazol-2-yl)ethanamine (CAS: 18453-07-1) be handled?
Waste containing 2-(1,3-Thiazol-2-yl)ethanamine (CAS: 18453-07-1) should be coll...
How is Methyl 5-iodo-2-methylbenzoate (CAS: 103440-54-6) typically synthesized?
Methyl 5-iodo-2-methylbenzoate can be synthesized through the iodination of meth...
How is 5-Chloro[1,2,4]triazolo[1,5-a]pyridine (CAS: 1427399-34-5) typically synthesized?
5-Chloro[1,2,4]triazolo[1,5-a]pyridine is commonly synthesized via the condensat...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.












![[4-Amino-2-(methylsulfanyl)-5-pyrimidinyl]methanol structure [4-Amino-2-(methylsulfanyl)-5-pyrimidinyl]methanol structure](https://static.chemtradehub.com/structs/588/588-36-3-fc73.webp)

