Photoelectron spectroscopy and density functional calculations of CnSm− (n = 2–7; m = 1, 2) clusters

Literature Information

Publication Date 2015-10-27
DOI 10.1039/C5CP04482K
Impact Factor 3.676
Authors

Xi-Ling Xu, Xiao-Jiao Deng, Hong-Guang Xu, Wei-Jun Zheng


View Original

Abstract

CnSm− (n = 2–7; m = 1, 2) clusters were investigated by using photoelectron spectroscopy combined with density functional theory calculations. We found that the vertical detachment energies of both CnS− and CnS2− (n = 2–7) clusters exhibit a strong odd–even alternation with an increasing number of carbon atoms: the VDEs of even-n clusters are higher than those of adjacent odd-n clusters. The most stable structures of the anionic and neutral CnS (n = 2–7) clusters are linear with the S atom locating at one end of the carbon chain except that the structure of C3S− is slightly bent. The ground state isomers of the anionic and neutral CnS2 (n = 2–7) clusters are all linear structures with two S atoms locating at two ends of the carbon chain. The electron affinities of the neutral CnS (n = 2, 4–7) and CnS2 (n = 2–7) clusters are determined based on the experimental adiabatic detachment energies of the corresponding anion species, because the most stable structures of the neutral clusters are similar to those of the corresponding anions.

Related Literature

Diastereoselective construction of structurally diverse 2,3-dihydroquinolin-4-one scaffolds via redox neutral cascade [1,7]-hydride transfer/cyclization

Ronghao Xie, Shixiao Chen, Xianping Xiang, Xiangcong Yin, Lubin Xu, Shuai-Shuai Li, Liang Wang, Fengying Dong

2021-12-07 Research Article

DOI: 10.1039/D1QO01530C

Eugenunilones A–H: rearranged sesquiterpenoids from Eugenia uniflora

Mu Chen, Jia-Qing Cao, Song Ang, Ting-Ni Zeng, Ni-Ping Li, Tang-Jia Yang, Jun-Shan Liu, Yan Wu, Wen-Cai Ye, Lei Wang

2021-12-03 Research Article

DOI: 10.1039/D1QO01629F

Catalytic asymmetric Henry reactions of silyl nitronates with aldehydes

Tine Risgaard, Kurt V. Gothelf, Karl Anker Jørgensen

2002-12-03 Paper

DOI: 10.1039/B208859M

Front cover

2022-02-01 Cover

DOI: 10.1039/D2QO90008D

Synthesis of nitrogen-tethered 1,6-enynes through CuI/TFA catalysis

Leilei Cao, Liliang Huang, Xianjun Xu

2021-12-03 Research Article

DOI: 10.1039/D1QO01358K

Asymmetric fluorination of indanone-2-carboxylates using a polystyrene-supported diphenylamine-linked bis(oxazoline) complex

Biao Wang, Yifeng Wang, Yidong Jiang, Mingming Chu, Suosuo Qi, Wanzhen Ju, Danqian Xu

2018-09-28 Paper

DOI: 10.1039/C8OB01943F

Purine-substituted imidazolium mesomeric betaines and their tautomeric N-heterocyclic carbenes. Formation of a cyclic borane adduct

Jiaxi Zhang, Eike G. Hübner, Jan C. Namyslo, Martin Nieger, Andreas Schmidt

2018-09-05 Paper

DOI: 10.1039/C8OB01916A

Radical addition to oximeethers for asymmetric synthesis of β-amino acid derivatives

Hideto Miyabe, Kayoko Fujii, Takeaki Naito

2002-12-16 Paper

DOI: 10.1039/B208823A

Natural products as modulators of the cyclic-AMP pathway: evaluation and synthesis of lead compounds

Saumitra Sengupta, Goverdhan Mehta

2018-08-24 Review Article

DOI: 10.1039/C8OB01388H

You might also like

Compound Q&A

Is 6-(3-Fluorophenyl)picolinic acid (CAS: 887982-40-3) safe?

6-(3-Fluorophenyl)picolinic acid is generally considered safe for laboratory use...

887982-40-36-(3-Fluorophenyl)pi...
Compound Q&A

What industries use (3R)-3-Pyrrolidinol (CAS: 2799-21-5)?

(3R)-3-Pyrrolidinol is used in the pharmaceutical industry as a precursor for dr...

2799-21-5(3R)-3-Pyrrolidinol
Compound Q&A

What precautions should be taken when handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-8)?

When handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-...

59779-75-8(4R,5R)-4,5-Diethoxy...
Compound Q&A

How is 1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone (CAS: 90734-71-7) typically synthesized?

1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone is often synthesized via a mult...

90734-71-71-(6-Chloroimidazo[1...
Compound Q&A

What is the market or research trend for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1)?

The market for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1) remains steady,...

39180-83-1N-Ethyl-3,4-dimethyl...
Compound Q&A

What is Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate (CAS: 1019008-21-9)?

Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate is a chemical compound wit...

1019008-21-9Tert-butyl 3-(pyrrol...
Compound Q&A

What regulatory guidelines apply to 1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1)?

1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1) falls under the classi...

1228956-93-11-Bromo-3-chloro-2,4...
Compound Q&A

Is 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07-4) safe?

The safety of 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07...

1368622-07-48-Bromo-2-methyl-3,4...
Compound Q&A

Is Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate (CAS: 22785-43-9) safe?

Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate is generally safe when handled wi...

22785-43-9Benzyl [(3S)-2,6-dio...
Compound Q&A

How should 1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine (CAS: 928657-21-0) be stored?

1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine s...

928657-21-01-{[4-(4,4,5,5-Tetra...

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.