On the signal depletion induced by stretching excitation of methane in the reaction with the F atom
文献情報
Yuan Cheng, Huilin Pan
Exciting a stretching mode of a chemical bond should help its breaking during a chemical reaction, according to conventional wisdom. In several recent studies of the reactions of stretch-excited methane (and isotopologues) with the F atom, counterintuitively, we found that the induced reactant vibrations instead inhibit the bond rupture and slow down the overall reaction rate. This intriguing observation has been qualitatively ascribed to the vibrationally induced steric effects of the reaction in previous reports. However, quantitative determination of the reactivity suppression in terms of reaction cross sections remains lacking. In this report, we scrutinize the physical meaning of this (product) signal depletion phenomenon and fill the gap. Through a systematic investigation we further elucidate the additional reaction dynamics information that can be retrieved from the depletion measurements. The resultant rotationally state-selected reaction cross sections for both the vibrational ground and excited states are presented, and the stereodynamical implications are delineated.
おすすめジャーナル

Main Group Metal Chemistry

Heterocyclic Communications

Construction and Building Materials

Applied Composite Materials

Cement and Concrete Composites

Catalysis Today

Diamond and Related Materials

Journal of Physical Organic Chemistry

Bio-Medical Materials and Engineering

Journal of Computer-Aided Molecular Design
関連文献
Ab initio kinetics of the CH3NH + NO2 reaction: formation of nitramines and N-alkyl nitroxides
DOI: 10.1039/D3CP03333C
Effect of annealing temperature and capping ligands on the electron mobility and electronic structure of indium oxide nanocrystal thin films: a comparative study with oleic acid, benzoic acid, and 4-aminobenzoic acid
Quang Trung Le, Hyeok Yun, Hyeonbeom Park, Hyun-Dam Jeong
DOI: 10.1039/D3CP03842D
Al–Pt intermetallic compounds: HAXPES study
Olga Sichevych, Ulrich Burkhardt, Ana María Barrios Jiménez, Anna Melendez-Sans, Yen-Fa Liao, Ku-Ding Tsuei, Deepa Kasinathan, Daisuke Takegami, Alim Ormeci
DOI: 10.1039/D3CP03559J
The nature of the electronic ground state of M2C (M = Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) MXenes
Néstor García-Romeral, Ángel Morales-García, Francesc Viñes, Ibério de P. R. Moreira, Francesc Illas
DOI: 10.1039/D3CP04402E
Impact of a rubrene buffer layer on the dynamic magnetic behavior of nickel layers on Si(100)
Ranganadha Gopalarao Tanguturi, Jian-Chen Tsai, You-Siang Li, Jyh-Shen Tsay
DOI: 10.1039/D3CP04463G
Theoretical study of protein adsorption on graphene/h-BN heterostructures
Jun Lan, Yiran Peng, Lijun Liang, Xing Duan, Zhe Kong, Li Zhang
DOI: 10.1039/D3CP03303A
Towards the generation of potential energy surfaces of weakly bound medium-sized molecular systems: the case of benzonitrile–He complex
Eya Derbali, Yosra Ajili, Bilel Mehnen, Piotr S. Żuchowski, Dariusz Kędziera, Muneerah Mogren Al-Mogren, Nejm-Edine Jaidane, Majdi Hochlaf
DOI: 10.1039/D3CP02720A
Two-dimensional AlN/TMO van der Waals heterojunction as a promising photocatalyst for water splitting driven by visible light
Ji Tao, Can Li, Shixian Xiong, Zhiqiang Xu, Jingyao Shao, Lei Cao, Ying Zhang, Kejun Dong, Ling-Ling Wang
DOI: 10.1039/D3CP04120D
FeS2 and WO3 nanoparticles decorated on biochar as a high throughput electrode for supercapacitors
Fahad Abdulaziz, Salman Latif, Abdulaziz Alanazi
DOI: 10.1039/D3CP01926H
Origin of the enantioselectivity of alcohol dehydrogenase
Jiahui Zhou, Tao Han, Qi Wu, Meilan Huang
DOI: 10.1039/D3CP04019D
こちらもおすすめ
6-苄基-6,7-二氢-5H-吡咯并3,4-b吡啶とは何ですか?
6-苄基-6,7-二氢-5H-吡咯并3,4-b吡啶は、CAS番号109966-30-5の化合物です。これは、6-ベンジル基を持つ6,7-二氢-5H-吡咯並みの化...
半硫酸奎宁单水水合物はどのように保存すればよいですか?
半硫酸奎宁单水水合物は、乾燥した涼しい場所に保管し、直射日光や湿気を避ける必要があります。保存温度は常温(15〜25℃)が適切で、湿度は40%以下を維持すること...
D-核糖-5-リン酸二ナトリウムとは何ですか?
D-核糖-5-リン酸二ナトリウムは、CAS番号18265-46-8を有する化合物で、D-核糖の5位付加部位にリン酸基が結合した化合物です。この化合物は、水溶性で...
3-乙酰基-4-羟基喹啉-2(1H)-酮はどのように合成されますか?
3-乙酰基-4-羟基喹啉-2(1H)-酮は、ハイドロキノンと酢酸アセトイルアミドのアミド化反応により合成されます。この反応は塩基触媒を用いて行われ、選択性は良好...
5-溴-4-甲基-1H-吲唑とは何ですか?
5-溴-4-甲基-1H-吲唑は、CAS番号1082041-34-6の化学物質で、化学式はC10H9BrNです。この化合物は淡黄色の結晶性粉末で、吸湿性があります...
3-(4メトキシフェニル)オキテナン-3カーボイル酸の代替品はありますか?
3-(4メトキシフェニル)オキテナン-3カーボイル酸の代替品は、その用途により異なりますが、例えば4-(メトキシフェニル)オキテナン-3カーボイル酸や、他のオキ...
3-イリドオキシピロロ[2,3-b]ピリジン-5-カルボキシlic酸は安全ですか?
3-イリドオキシピロロ[2,3-b]ピリジン-5-カルボキシlic酸は危険な化合物ではありませんが、適切な手袋や保護眼鏡の使用を推奨します。誤って摂取または接触...
3-氟-4- iodobenolを取り扱う際の実験室安全事項は何ですか?
3-氟-4- iodobenolは可燃性を有し、強力な反応性を持つため、取り扱いには注意が必要です。PPE(個人保護具)の着用、ドラフトチャンバーの使用、漏洩時...
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.

![Methyl 2-[5-(3-Phenoxyphenyl)-2H-tetrazol-2-yl]acetate structure Methyl 2-[5-(3-Phenoxyphenyl)-2H-tetrazol-2-yl]acetate structure](https://static.chemtradehub.com/structs/130/1305320-60-8-84b4.webp)

![1H-Imidazo[4,5-c]pyridine-7-carboxylic acid structure 1H-Imidazo[4,5-c]pyridine-7-carboxylic acid structure](https://static.chemtradehub.com/structs/123/1234616-39-7-1344.webp)
![trans-2-{[(Tert-butoxy)carbonyl]amino}cyclobutane-1-carboxylic acid structure trans-2-{[(Tert-butoxy)carbonyl]amino}cyclobutane-1-carboxylic acid structure](https://static.chemtradehub.com/structs/951/951173-25-4-27cd.webp)