@inbook{db4bacb753eb4baf9e80208d7e40dc23,
title = "Theoretical analysis of XANES for aqueous aluminum salt solutions",
abstract = "In order to understand the coordination behavior of Al(III) ions in hydrosphere, discrete variational Xα molecular orbital calculations were performed to analyze Al K-edge XANES spectra for the aqueous solutions of Al(NO3)3·9H2O and Al-EDTA (EDTA = ethylenediaminetetraacetate) complex. As to Al(NO3)3·9H2O, the hydrate structure was presumed to be rather an asymmetric hexahydrated structure than an high-symmetric structure. As to Al-EDTA, the 5-fold coordinated Al-EDTA was concluded to be the coexistence of the pyramidal and trigonal bipyramidal structures in proportion of 4 to 6.",
author = "Shuji Matsuo and Kaori Shirozu and Yuichi Tateishi and Hisanobu Wakita and Takushi Yokoyama",
note = "Funding Information: The authors thank KOBELCO Research Institute Inc. in Japan for the use of a Cerius 2 suite of programs. This work is supported by the Advanced Materials Institute of Fukuoka University.",
year = "2003",
doi = "10.1016/s0065-3276(03)42064-9",
language = "English",
isbn = "012034842X",
series = "Advances in Quantum Chemistry",
publisher = "Academic Press Inc.",
pages = "407--417",
booktitle = "DV-Xa for advanced nano materials and other interesting topics in materials science",
address = "United States",
}