DOI: 10.1063/1.449157. Theoretical study of small silicon clusters: Cyclic ground state structure of Si3

Theoretical study of small silicon clusters: Cyclic ground state structure of Si3

10.1063/1.449157

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The ground state structure of Si3 is found to be cyclic (1A1, C2v symmetry) with an apex bond angle of ≂80°. The linear form, analogous to the known structure of C3, is found to be a saddle point which transforms without activation to the cyclic structure. There is a low-lying triplet state (3A′2, D3h symmetry) which lies only a few kcal/mol higher in energy. The nature of the bending potential surface of the ground state structure is also discussed.

Bibliography

Raghavachari, K. (1985). Theoretical study of small silicon clusters: Cyclic ground state structure of Si3. The Journal of Chemical Physics, 83(7), 3520â3525.

Authors 1

Krishnan Raghavachari (first)

References 46 Referenced 153

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 9 a.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 10:49 p.m.)
Indexed	3 months, 3 weeks ago (May 3, 2025, 1:42 p.m.)
Issued	39 years, 10 months ago (Oct. 1, 1985)
Published	39 years, 10 months ago (Oct. 1, 1985)
Published Print	39 years, 10 months ago (Oct. 1, 1985)

Funders 0

None

BibTeX

@article{Raghavachari_1985, title={Theoretical study of small silicon clusters: Cyclic ground state structure of Si3}, volume={83}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.449157}, DOI={10.1063/1.449157}, number={7}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Raghavachari, Krishnan}, year={1985}, month=oct, pages={3520–3525} }

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