Photodissociation dynamics of propargylene, HCCCH

文献情報

出版日 2014-02-07

DOI 10.1039/C3CP53213E

インパクトファクター 3.676

著者

Jens Giegerich, Jens Petersen, Roland Mitrić, Ingo Fischer

原文を見る

要旨

We report a joint theoretical and experimental study on the photodissociation of the C3H2 isomer propargylene, HCCCH, combining velocity map imaging with nonadiabatic trajectory surface hopping calculations. Propargylene loses an H-atom, after laser excitation at around 250 nm, presumably to the T6 state. The photofragment angular distribution exhibits only a very small anisotropy, but the H-atom translational energy distribution extends to high energies and shows an expectation value of 〈fT〉, the fraction of excess energy released as translation, of 48%, outside the range expected for a statistical reaction mechanism. The computations suggest a predissociation in the T4–T6 state and lead to a translational energy distribution and photofragment angular distribution that match the experimentally observed ones very well.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 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.

Photodissociation dynamics of propargylene, HCCCH

文献情報

おすすめジャーナル

関連文献

Inside back cover

Adsorbing the 3d-transition metal atoms to effectively modulate the electronic and magnetic behaviors of zigzag SiC nanoribbons

Hybrid host materials for highly efficient electrophosphorescence and thermally activated delayed fluorescence independent of the linkage mode

A theoretical study of the potential energy surfaces for the double proton transfer reaction of model DNA base pairs

Free-energy patterns in inclusion complexes: the relevance of non-included moieties in the stability constants

Sizable dynamics in small pores: CO2 location and motion in the α-Mg formate metal–organic framework

Insights into the mechanism of electrochemical ozone production via water splitting on the Ni and Sb doped SnO2 catalyst

Single-molecule force spectroscopy of fast reversible bonds

A cationic naphthyl derivative defies the non-equilibrated excited rotamers principle

Combining the spin-separated exact two-component relativistic Hamiltonian with the equation-of-motion coupled-cluster method for the treatment of spin–orbit splittings of light and heavy elements

こちらもおすすめ

オステニ二甲磺酸塩に適用される法規ガイドラインは何ですか？

環丁基肼盐酸盐は安全ですか？

N-(4-パリドン基ソニルフェニル)硫代イソシアネートを取り扱う際の実験室安全事項は何ですか？

5-ヒドロキシ-1,3-ジヒドロ-2H-インドン-2-酮の物理化学的性質は何ですか？

O-苄基-D-丝氨醇はどのように合成されますか？

ナトリウム3-ヒドロキシbutano酸とは何ですか？

1-(二苯甲基)-4-甲基ベンゼンの物理化学的性質は何ですか？

ネアミン塩酸塩の物理化学的性質は何ですか？

偶氮二甲酰二哌啶の主な用途は何ですか？

LF3はどのように保存すればよいですか？

掲載誌

Physical Chemistry Chemical Physics

おすすめ化合物

1-(Bromomethyl)-2,4-dinitrobenzene

N-(2-Fluoro-4-methylphenyl)acetamide

2-Methyl-2-propanyl 4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate

6-Chloro-2-ethylbenzoxazole

2-Azaspiro[4.5]decane-3,8-dione

おすすめサプライヤー