DOI: 10.1063/1.1605935. Electronic structures of azafullerene C48N12

Electronic structures of azafullerene C48N12

10.1063/1.1605935

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Two recently proposed low-energy azafullerene C48N12 isomers have been theoretically characterized using x-ray spectroscopies. The x-ray photoelectron spectroscopy, the near-edge absorption fine structure, the x-ray emission spectroscopy, and the ultraviolet photoelectron spectroscopy for both isomers have been predicted at the gradient-corrected density functional theory level. These spectroscopies together give a comprehensive insight of the electronic structure on the core, valence, and unoccupied orbitals. They have also provided a convincing way for identifying the isomer structures.

Bibliography

Brena, B., & Luo, Y. (2003). Electronic structures of azafullerene C48N12. The Journal of Chemical Physics, 119(14), 7139â7144.

Authors 2

Barbara Brena (first)
Yi Luo (additional)

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Dates

Type	When
Created	21 years, 10 months ago (Oct. 3, 2003, 12:36 p.m.)
Deposited	1 year, 6 months ago (Feb. 7, 2024, 10:35 a.m.)
Indexed	4 weeks ago (Aug. 1, 2025, 11:58 p.m.)
Issued	21 years, 10 months ago (Oct. 8, 2003)
Published	21 years, 10 months ago (Oct. 8, 2003)
Published Print	21 years, 10 months ago (Oct. 8, 2003)

Funders 0

None

BibTeX

@article{Brena_2003, title={Electronic structures of azafullerene C48N12}, volume={119}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1605935}, DOI={10.1063/1.1605935}, number={14}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Brena, Barbara and Luo, Yi}, year={2003}, month=oct, pages={7139–7144} }

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