The involvement of triplet receiver states in the ultrafast excited state processes of small esters

Literature Information

Publication Date 2016-08-12
DOI 10.1039/C6CP04046B
Impact Factor 3.676
Authors

A. B. Stephansen, M. A. B. Larsen, T. I. Sølling


View Original

Abstract

The photoinduced processes of methyl formate and methyl acetate have been probed by femtosecond time-resolved mass spectrometry and photoelectron spectroscopy experiments supported by quantum chemical calculations. Upon excitation to a vibrationally hot S1 state both molecules were found to relax away from the Franck–Condon geometry faster than the cross-correlation (≈170 fs). During relaxation of the S1 surface intersystem crossing to the triplet manifold is possible via the T2 state which enables an El-Sayed allowed transition. The time-resolved photoelectron spectra show indications of a triplet state formed on an ultrafast timescale. We suggest that the ultrafast timescale of the intersystem crossing process is possible due to the shape of the potential energy surface directing and restricting the dynamics along the carbonyl group de-planarization coordinate, where an El-Sayed allowed intersystem crossing is possible at all times, and where the S1 and T2 states are nearly iso-energetic all the way along the reaction coordinate.

Related Literature

Effect of chloride salts and microwaves on polyethylene terephthalate (PET) hydrolysis by iron chloride/acetic acid Lewis/Brønsted acidic deep eutectic solvent

Marco Rollo, Massimo A. G. Perini, Alessandro Sanzone, Lorenzo Polastri, Matteo Tiecco, Alejandro Torregrosa-Chinillach, Elisa Martinelli, Gianluca Ciancaleoni

2023-11-21 Paper

DOI: 10.1039/D3SU00205E

Contents list

2023-11-16 Front/Back Matter

DOI: 10.1039/D3FB90020G

Sustainability-driven photocatalysis: oxygen-doped g-C3N4 for organic contaminant degradation

Soumya Ranjan Mishra, Vishal Gadore, Md. Ahmaruzzaman

2023-12-04 Tutorial Review

DOI: 10.1039/D3SU00384A

Introducing RSC Applied Interfaces

2024-01-08 Editorial

DOI: 10.1039/D3LF90001K

Digitalization of the agro-food sector for achieving sustainable development goals: a review

Adithya Sridhar, Muthamilselvi Ponnuchamy, P. Senthil Kumar, Ashish Kapoor, Dai-Viet Nguyen Vo

2023-10-27 Review Article

DOI: 10.1039/D3FB00124E

In situ crosslinked Schiff base biohydrogels containing Carica papaya peel extract: application in the packaging of fresh berries

Ganeswar Dalei, Swagat Kumar Das, Susri Sangita Mohapatra

2023-09-13 Paper

DOI: 10.1039/D3FB00096F

Inside back cover

2024-01-17 Cover

DOI: 10.1039/D4LF90008A

You might also like

Compound Q&A

Is 2-(2-chloroacetamido)-3-phenylpropanoic acid (CAS: 7765-11-9) safe?

2-(2-Chloroacetamido)-3-phenylpropanoic acid (CAS: 7765-11-9) is generally consi...

7765-11-92-(2-chloroacetamido...
Compound Q&A

Is 2-(Benzyloxy)-5-bromobenzoic acid (CAS: 62176-31-2) safe?

2-(Benzyloxy)-5-bromobenzoic acid can be handled safely if appropriate precautio...

62176-31-22-(Benzyloxy)-5-brom...
Compound Q&A

What is (4-Methyl-1,2,5-oxadiazol-3-yl)methanamine hydrochloride (CAS: 1159825-48-5)?

(4-Methyl-1,2,5-oxadiazol-3-yl)methanamine hydrochloride is a chemical compound ...

1159825-48-5(4-Methyl-1,2,5-oxad...
Compound Q&A

What is 2-(5-Hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 917985-54-7)?

2-(5-Hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 917985-54...

917985-54-72-(5-Hexylthiophen-2...
Compound Q&A

Are there alternatives to 4-(8-Methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine (CAS: 102771-26-6) in synthesis?

While 4-(8-Methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine (CAS:...

102771-26-64-(8-Methyl-9H-1,3-d...
Compound Q&A

What is the market or research trend for tert-butyl 3-hydroxy-4,5,7,8-tetrahydro-2H-pyrazolo[3,4-d]azepine-6-carboxylate (CAS: 851376-80-2)?

The market for tert-butyl 3-hydroxy-4,5,7,8-tetrahydro-2H-pyrazolo[3,4-d]azepine...

851376-80-2tert-butyl 3-hydroxy...
Compound Q&A

How should waste containing 3,5-Diamino-1H-pyrazole-4-carbonitrile (CAS: 6844-58-2) be handled?

Waste containing 3,5-Diamino-1H-pyrazole-4-carbonitrile (CAS: 6844-58-2) should ...

6844-58-23,5-Diamino-1H-pyraz...
Compound Q&A

How is (6-Fluoro-3-pyridinyl)boronic acid (CAS: 351019-18-6) typically synthesized?

(6-Fluoro-3-pyridinyl)boronic acid can be synthesized through the reaction of 6-...

351019-18-6(6-Fluoro-3-pyridiny...
Compound Q&A

What industries use Dibenzyl carbonimidoylbiscarbamate (CAS: 10065-79-9)?

Dibenzyl carbonimidoylbiscarbamate (CAS: 10065-79-9) finds applications in vario...

10065-79-9Dibenzyl carbonimido...
Compound Q&A

What is the market or research trend for (beta,beta,2,3,4,5,6-~2~H_7_)Phenylalanine (CAS: 74228-83-4)?

The market for (beta,beta,2,3,4,5,6-~2~H_7_)Phenylalanine (CAS: 74228-83-4) is g...

74228-83-4(beta,beta,2,3,4,5,6...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

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.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.