Parity alternation of linear ground-state CnS2− (n=6–18) clusters

Chen, M. D.; Liu, J.; Chen, Q. B.; Zhang, Q. E.; Au, Chak Tong

doi:10.1016/j.ijms.2006.11.005

Cited by 6 publications

(2 citation statements)

References 36 publications

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“…The majority of negative charge is located at the sulfur atom as well as distributed on the two carbon atoms close to the other end. The structure of C n S 2− ( n = 6−18) is stabilized due to obvious reduction of the Coulomb repulsion force . In ground-state CsC n − ( n = 4−10), the large Cs + seems to be lightly embraced by C n 2− , and the structure of the C n frame reflects the geometry of the corresponding carbon dianion.…”

Section: Resultsmentioning

confidence: 99%

Density Functional Theory Study of CsC_n⁻ (n = 1−10) Clusters

Dang

Chen

et al. 2008

J. Phys. Chem. A

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In this paper, we report the design of numerous models of CsC(n)(-) (n = 1-10). By means of B3LYP density functional method, we carried out geometry optimization and calculation on the vibrational frequency. We found that the CsC(n)(-) (n = 4-10) clusters with Cs lightly embraced by C(n) are ground-state isomers. The structures are composed of C(n)(2-) and Cs(+) with the former being electronically stabilized by the latter. When n is even, the C(n) (n = 4-10) chain is polyacetylene-like. The CsC(n)(-) (n = 1-10) with even n are found to be more stable than those with odd n, and the result is in accord with the relative intensities of CsC(n)(-) (n = 1-10) observed in mass spectrometric studies. In this paper, we provide explanations for such trend of even/odd alternation based on concepts of the highest vibrational frequency, incremental binding energy, electron affinity, and dissociation channels.

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Section: Resultsmentioning

confidence: 99%

Density Functional Theory Study of CsC_n⁻ (n = 1−10) Clusters

Dang

Chen

et al. 2008

J. Phys. Chem. A

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“…The structure of phosphorus clusters in different charge states has been investigated by various quantum chemical methods [15][16][17][18][19][20][21][22][23][24][25][26] ranging from a molecular dynamics/density functional MD/DF approach [15] to coupled-cluster theory CCSD(T) [19] and comprehensive genetic algorithm DFT [26]. Compared to extensive computational studies of neutral phosphorus clusters [16-19, 21, 22, 26], much less is known about charged clusters, which were most frequently investigated experimentally.…”

Section: Introductionmentioning

confidence: 99%

Phosphorus cluster cations formed in doped helium nanodroplets are different

Albertini

Hechenberger

Kollotzek

et al. 2021

International Journal of Mass Spectrometry

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Current literature in mass spectrometry

2007

J. Mass Spectrom.

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In order to keep subscribers up‐to‐date with the latest developments in their field, John Wiley & Sons are providing a current awareness service in each issue of the journal. The bibliography contains newly published material in the field of mass spectrometry. Each bibliography is divided into 11 sections: 1 Reviews; 2 Instrumental Techniques & Methods; 3 Gas Phase Ion Chemistry; 4 Biology/Biochemistry: Amino Acids, Peptides & Proteins; Carbohydrates; Lipids; Nucleic Acids; 5 Pharmacology/Toxicology; 6 Natural Products; 7 Analysis of Organic Compounds; 8 Analysis of Inorganics/Organometallics; 9 Surface Analysis; 10 Environmental Analysis; 11 Elemental Analysis. Within each section, articles are listed in alphabetical order with respect to author (4 Weeks journals ‐ Search completed at 29th. June 2007)

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Parity alternation of linear ground-state CnS2− (n=6–18) clusters

Cited by 6 publications

References 36 publications

Density Functional Theory Study of CsC_n⁻ (n = 1−10) Clusters

Density Functional Theory Study of CsC_n⁻ (n = 1−10) Clusters

Phosphorus cluster cations formed in doped helium nanodroplets are different

Current literature in mass spectrometry

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Parity alternation of linear ground-state CnS2− (n=6–18) clusters

Cited by 6 publications

References 36 publications

Density Functional Theory Study of CsCn− (n = 1−10) Clusters

Density Functional Theory Study of CsCn− (n = 1−10) Clusters

Phosphorus cluster cations formed in doped helium nanodroplets are different

Current literature in mass spectrometry

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Density Functional Theory Study of CsC_n⁻ (n = 1−10) Clusters

Density Functional Theory Study of CsC_n⁻ (n = 1−10) Clusters