Time-resolved photoelectron spectroscopy of molecular dissociation: Classical trajectory versus quantum wave-packet calculations
文献情報
Christoph Meier, Volker Engel
We present a simulation of ultrafast pump–probe photoelectron spectroscopy based on a classical treatment of the nuclear motion. A comparison with quantum mechanical wave-packet results shows that in the case of the direct dissociation of H2O in its à 1B1 electronic state this method produces extremely accurate results. The energy distribution of the photoelectrons recorded as a function of the pump–probe delay reflects the dissociation process, which takes place within only a few femtoseconds.
関連文献
Preparation and electrochemical behaviour of hydrophobic vitamin B12 covalently immobilized onto platinum electrode
Hisashi Shimakoshi, Mami Tokunaga, Keita Kuroiwa, Nobuo Kimizuka, Yoshio Hisaeda
DOI: 10.1039/B309457J
A new method of solvent free O- and N-glycosylation using activated carbon fiber (ACF) as a promoter. Application to the synthesis of saponin and nucleoside analogues
Sophie Lautrette, Robert Granet, Pierre Krausz
DOI: 10.1039/B315699K
Free energy of adsorption of water and calcium on the {10 4} calcite surface
Sebastien Kerisit, Stephen C. Parker
DOI: 10.1039/B311928A
Heterogeneous colorimetric sensor for mercuric salts
Emilio Palomares, Ramón Vilar, James R. Durrant
DOI: 10.1039/B314138A
Terminally functionalized polyisobutylene oligomers as soluble supports in catalysis
David E. Bergbreiter, Jun Li
DOI: 10.1039/B312368E
Stabilization of D5h and C2v valence tautomers of the croconate dianion
Chi-Keung Lam, Mei-Fun Cheng, Chi-Lun Li, Jie-Peng Zhang, Xiao-Ming Chen, Wai-Kee Li, Thomas C. W. Mak
DOI: 10.1039/B312545A
Large macroscopic size changes in chemomechanical polymers with binding sites for metal ions
Hans-Jörg Schneider, Tianjun Liu
DOI: 10.1039/B310939A
Utilisation of [11C]-labelled boron carbonyl complexes in palladium carbonylation reaction
Hélène Audrain, Laurent Martarello, Antony Gee, Dirk Bender
DOI: 10.1039/B314982J
High quality CdSeS nanocrystals synthesized by facile single injection process and their electroluminescence
Eunjoo Jang, Shinae Jun, Lyongsun Pu
DOI: 10.1039/B310853H
Relative importance of hydrogen bonding and coordinating groups in modulating the zinc–water acidity
Juan C. Mareque-Rivas, Ravi Prabaharan, Rafael Torres Martín de Rosales
DOI: 10.1039/B310956A
こちらもおすすめ
噻奈普汀乙酯の物理化学的性質は何ですか?
CAS番号66981-77-9の噻奈普汀乙酯は、結晶性白色粉末であり、分子量は476.9 g/molです。この化合物は水に溶けにくく、一般的には有機溶媒で溶解し...
アミピシリン不純物Fとは何ですか?
アミピシリン不純物Fは、CAS番号124774-48-7の化合物です。これは、抗生物質アミピシリンの生産過程で生成される不純物の一つであり、(4S)-2-({[...
イリジウム(I)ヘキサフルオロフォスファートの代替品はありますか?
イリジウム(I)ヘキサフルオロフォスファートの代替品として、他の有機金属化合物や非有機金属化合物が使用されることがあります。具体的には、ダイゾニウム塩や他の金属...
含有3-(苯氧基甲基)苯硼酸频那醇酯の廃棄物はどのように処理すべきですか?
含有3-(苯氧基甲基)苯硼酸频那醇酯の廃棄物は、安全な方法で処理する必要があります。まず、廃棄物を適切な容器に収集し、避けて保管します。次に、専門の廃棄処理業者...
2-甲基辛-1-醇を取り扱う際の実験室安全事項は何ですか?
取り扱う際は、密閉のゴーグルと手袋を着用することが推奨されます。ドラフトチャンバーを使用し、漏洩時には速やかに取り扱いを中止し、適切な排気設備を使用してください...
3α-アセトキノイドコレステロールエステルはどのように保存すればよいですか?
3α-アセトキノイドコレステロールエステルは、常温から低温(0-5℃)の暗所で保存し、密閉容器に入れることで安定性を保つことが推奨されます。また、湿気や酸素から...
2-ぶンジロキシ-4-(トリフルオロメチル)フェノルビノン酸の主な用途は何ですか?
2-ぶンジロキシ-4-(トリフルオロメチル)フェノルビノン酸は、化学合成の触媒としての使用や、医薬品の合成材料としての役割があります。また、特定の合成路線で使用...
(2S,3R)-2-氨基-3-甲基丁二酸はどのように合成されますか?
(2S,3R)-2-氨基-3-甲基丁二酸は、2-ヒドロキシ-3-メチル丁酸とアミノ化反応を行うことで合成されます。触媒としてジクロロメタンが使用され、選択性と収...
1-Benzyl-2-phenyl-1H-imidazoleはどのように保存すればよいですか?
この化合物は常温で避けてください。直射日光を避け、密閉容器で保存し、湿気を防水の容器に入れて保管してください。
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.













![[3-Chloro-5-(diethylcarbamoyl)phenyl]boronic acid structure [3-Chloro-5-(diethylcarbamoyl)phenyl]boronic acid structure](https://static.chemtradehub.com/structs/957/957120-59-1-febc.webp)
