Open AccessTHE TRANSITIONS OF Fe2+-Fe3+ PAIRS IN TOURMALINE
Author(s) -
Shen Guo-yin,
Wan Ke-Nin,
Bo Shang
Publication year - 1985
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.34.164
Subject(s) - tourmaline , ion , infrared , spectral line , physics , infrared spectroscopy , crystal (programming language) , absorption spectroscopy , intensity (physics) , materials science , atomic physics , crystallography , nuclear magnetic resonance , chemistry , optics , quantum mechanics , astronomy , computer science , metallurgy , programming language
Crystal field theory has been used to calculate the spin allowed transition of Fe2+ ions with 3d6 configuration in the two substitutional sites of interest in tourmaline, i. e., in b and c-sites which have Cs and C1 point group respectively, by using Zhao's SCP d-orbit of Fe2+ ion. The transition of Fe2+-Fe3+ ion pairs, (Fe2+[g]-Fe3+)→(Fe2+[e]-Fe3+) which has not previously been studied, is discussed here theoretically. An estimate of the magnitude of the intensity of the three strongly polarized (E⊥c>>E//c) bands near 9,000cm-1,13,800cm-1,15,000cm-1 in the near-infrared region is given. The interpretation of the near-infrared absorption spectra of tourmaline is satisfactory.