A roaming wavepacket in the dynamics of electronically excited 2-hydroxypyridine
文献情報
Lionel Poisson, Benoît Soep, Majdi Hochlaf, Martial Boggio-Pasqua, Jean-Michel Mestdagh
How much time does it take for a wavepacket to roam on a multidimensional potential energy surface? This combined theoretical and pump–probe femtosecond time experiment on 2-hydroxypyridine proposes an answer. Bypassing the well-established transition state and conical intersection relaxation pathways, this molecular system undergoes relaxation into the S1 excited state: the central ring is destabilized by the electronic excitation, within ∼100 fs after absorption of the pump photon, then the H-atom bound to oxygen undergoes a roaming behavior when it couples to other degrees of freedom of the molecule. The timescale of the latter process is measured to be ∼1.3 ps. Further evolution of the wavepacket is either an oscillation onto the S1 potential or a conversion into the triplet state for timescale larger than ∼110 ps. Our work introduces a new tool for the understanding of time-resolved relaxation dynamics applied to large molecules through the roaming dynamics characterized by its strongly delocalized wavepacket on flat molecular potential energy surfaces.
関連文献
Resistive switching memory devices based on electrical conductance tuning in poly(4-vinyl phenol)–oxadiazole composites
Yanmei Sun, Fengjuan Miao, Rui Li, Dianzhong Wen
DOI: 10.1039/C5CP05481H
Computational modeling of self-trapped electrons in rutile TiO2
Justin E. Elenewski, Wei Jiang, Hanning Chen
DOI: 10.1039/C5CP05271H
Fluorescence of N-acylated dansylamide with a long hydrophobic tail: sensitive response to premicellar aggregation of sodium deoxycholate
Alok Kumar Tripathi, Monalisa Mohapatra, Ashok Kumar Mishra
DOI: 10.1039/C5CP04263A
Gas-phase synthesis of Mg–Ti nanoparticles for solid-state hydrogen storage
M. Calizzi, F. Venturi, M. Ponthieu, F. Cuevas, V. Morandi, T. Perkisas, S. Bals, L. Pasquini
DOI: 10.1039/C5CP03092G
Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds
Kenta Kanosue, Shinji Ando
DOI: 10.1039/C5CP05055C
Promoting and inhibiting tunneling via nuclear motions
Attila G. Császár, Tibor Furtenbacher
DOI: 10.1039/C5CP04270D
The tricyanomethanide anion favors low viscosity of the pure ionic liquid and its aqueous mixtures
DOI: 10.1039/C5CP05666G
Unveiling the peculiar hydrogen bonding behavior of solvated N-heterocyclic carbenes
DOI: 10.1039/C5CP05369B
How tubular aggregates interact with biomembranes: wrapping, fusion and pearling
Tongtao Yue, Yan Xu, Mingbin Sun, Xianren Zhang, Fang Huang
DOI: 10.1039/C5CP06511A
Fe3O4 and Au nanoparticles dispersed on the graphene support as a highly active catalyst toward the reduction of 4-nitrophenol
Yan Wang, Hai Li, Jijun Zhang, Xinyu Yan, Zexiang Chen
DOI: 10.1039/C5CP05336F
こちらもおすすめ
カルボニル基が付いた5-氰基-1-{[(2-メチル-2-プロpanyl)オキシ]カーボンイル}1H-吲哚-2-イリド-2-ボリン酸はどのように保存すればよいですか?
カルボニル基が付いた5-氰基-1-{[(2-メチル-2-プロpanyl)オキシ]カーボンイル}1H-吲哚-2-イリド-2-ボリン酸は、直射日光を避けて室温(15...
tert-ブチル2-クロロメチルピリジン-3-基炭酸エステルの市場動向や研究トレンドはどうですか?
この化合物は合成化学分野において、特にピリジン化合物の合成や改良に用いられます。最近の研究では、ピリジン化合物の新規合成法や特性の改良が注目されています。市場動...
聚二季戊四醇六丙烯酸酯はどの業界で使用されていますか?
聚二季戊四醇六丙烯酸酯は、医薬品、ポリマー、センサー、半導体などの業界で広く使用されています。特にポリマー業界では硬化剤として、医薬分野では医療機器の製造に使用...
1-氯-5-硝基异喹啉の市場動向や研究トレンドはどうですか?
1-氯-5-硝基异喹啉は、薬理学や合成化学の研究分野で注目されています。市場動向としては、その生物学的な活性や合成可能性を評価する研究が増えています。また、代替...
2-チロール-5-メチルスルフェニル-3-trifルオルメチルベンゼンはどのように合成されますか?
2-チロール-5-メチルスルフェニル-3-trifルオルメチルベンゼンは、トリフルオロメチル化反応と硫化反応を経て合成されます。通常、トリフルオロメチル化剤と硫...
p-トールイルマグネシウムブロミドの物理化学的性質は何ですか?
p-トールイルマグネシウムブロミドのCAS番号は4294-57-9です。この化合物は白色の結晶性粉末で、分子量は204.32です。溶剤中で良好に溶解しますが、水...
1-(5-甲基-2-硫化素基)プロパン-1-酮の市場動向や研究トレンドはどうですか?
1-(5-甲基-2-硫化素基)プロパン-1-酮の市場動向は、化学産業全体の需要に影響を受けますが、最近では pharmaceutical 分野での応用が注目され...
十一碳烯酰甘氨酸を取り扱う際の実験室安全事項は何ですか?
十一碳烯酰甘氨酸は吸入や皮膚から吸収されることがあり、取り扱う際には防塵マスクと手袋を使用してください。ドラフトチャンバーを用いて漏洩を処理し、適切なSDS(S...
1H,1H-全氟-3,6-二氧杂葵-1-醇を取り扱う際の実験室安全事項は何ですか?
この化合物は吸入や皮膚吸収による毒性があるため、防塵マスク、ゴーグル、防護手袋を使用する必要があります。ドラフトチャンバーでの操作が必要です。漏洩時には即座に換...
3-(4-(フルオロメチルオキシ)フェニル)-1,2,4-オキサジアゾール-5-カルボハイドライドは安全ですか?
安全性は化合物の使用方法によります。直接的な毒性は報告されていませんが、吸入や皮膚接触には注意が必要です。適切な防護服を着用し、換気を図ることを推奨します。
掲載誌
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-{[4-(Trifluoromethoxy)benzyl]oxy}benzonitrile structure 4-{[4-(Trifluoromethoxy)benzyl]oxy}benzonitrile structure](https://static.chemtradehub.com/structs/103/1036629-63-6-2172.webp)
![1-(2-Chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one structure 1-(2-Chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one structure](https://static.chemtradehub.com/structs/794/794568-91-5-0c34.webp)


