Characterization of aza-fullerene C58N2 isomers by X-ray spectroscopy
2003 (English)In: Chemical Physics Letters, ISSN 0009-2614, Vol. 371, no 1-2, 98-104 p.Article in journal (Refereed) Published
X-ray photoelectron and near-edge X-ray absorption fine-structure spectra (NEXAFS) of four isomers of C58N2 are predicted by means of density-functional theory calculations. A strong isomer dependence for both types of spectra are found. The spectroscopic findings are discussed in conjunction with results from electronic and geometric structure optimizations. © 2003 Elsevier Science B.V. All rights reserved.
Place, publisher, year, edition, pages
2003. Vol. 371, no 1-2, 98-104 p.
National CategoryEngineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-46694DOI: 10.1016/S0009-2614(03)00176-3OAI: oai:DiVA.org:liu-46694DiVA: diva2:267590