| 对稳定同位素地球化学一个基本原理的反思 |
| |
| 引用本文： | 刘耘.对稳定同位素地球化学一个基本原理的反思[J].矿物岩石地球化学通报,2007,26(1):49-51. |
| |
| 作者姓名： | 刘耘 |
| |
| 作者单位： | 中国科学院,地球化学研究所,矿床地球化学国家重点实验室,贵阳,550002 |
| |
| 基金项目： | 国家自然科学基金资助项目（40672033） |
| |
| 摘 要： | 用基于Urey模型的量子化学从头计算,揭示Fe在FeCN63-和FeCN46-中的不同“自旋态”对同位素分馏行为的巨大影响,说明了只考虑“价态”的做法是不正确的,修正了关于“重同位素倾向于富集在高价化合物中”的这个广泛被接受的基本原理。并首次指出在压力导致自旋态变化的地质过程中,必定存在同位素分馏反常的复杂状况,是值得进一步研究的方向。
|
| 关 键 词： | 稳定同位素分馏 量子化学计算 自旋态 铁同位素 |
| 文章编号： | 1007-2802（2007）01-0049-03 |
| 修稿时间： | 2006-10-172006-11-14 |
Re-thinking of One of the Fundamental Principles of Stable Isotope Geochemistry |
| |
| LIU Yun.Re-thinking of One of the Fundamental Principles of Stable Isotope Geochemistry[J].Bulletin of Mineralogy Petrology and Geochemistry,2007,26(1):49-51. |
| |
| Authors: | LIU Yun |
| |
| Institution: | State Key Laboratory of Ore-deposit Geochemistry, Institute of Geochemistry, Chinese Academy of Sciences,Guiyang 550002, China |
| |
| Abstract: | Ab initio quantum chemistry calculations based on Urey model(1947) has been performed on FeCN3-6 and FeCN4-6.The significant changes of Fe isotope fractionation factors of FeCN6 has been found under different spin statuses of Fe.This finding also suggests that the pressure-induced spin transitions will cause significant changes of isotope fractionation.It means that using the oxidation states as the only parameter to judge the isotope fractionation direction is incorrect and hence is indicative of a fundamental principle's fallacy. |
| |
| Keywords: | stable isotope fractionation quantum chemistry calculation spin status Fe isotope |
| 本文献已被 CNKI 维普 万方数据 等数据库收录！ |
