锰-氧键的通用“键价与键长”相关曲线
Universal 'bond valence versus bond length' correlation curve for manganese-oxygen bonds.
作者信息
Sidey Vasyl
机构信息
Department of Chemistry and Research Institute for Physics and Chemistry of Solids, Uzhgorod National University, Pidgirna Street 46, Uzhgorod 88000, Ukraine.
出版信息
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2014 Jun;70(Pt 3):608-11. doi: 10.1107/S2052520614004181. Epub 2014 May 24.
The oxidation-state independent `bond valence (s) versus bond length (r)' correlation curve for manganese-oxygen bonds has been closely approximated using the modified two-parameter Trömel s = f(r) function [Trömel (1983). Acta Cryst. B39, 664-669], s = (r0 - l)/(r - l), where r0 = 1.763 (2) Å and l = 1.148 (9) Å. The r0 and l refinable parameters of the above function can be regarded as the alternative bond-valence parameters intended for use in the modern bond-valence model [Brown (2009). Chem. Rev. 109, 6858-6919] in cases where the traditional bond-valence parameters (r0; n) and (r0; b) fail.
使用修正的双参数特罗梅尔函数(s = f(r)) [特罗梅尔（1983年）。《晶体学报》B39卷，664 - 669页]，即(s = [(r_0 - l)/(r - l)]^2)（其中(r_0 = 1.763(2) Å)且(l = 1.148(9) Å)），已紧密逼近锰 - 氧键的与氧化态无关的“键价((s))与键长((r))”相关曲线。在传统键价参数((r_0; n))和((r_0; b))不适用的情况下，上述函数的(r_0)和(l)可精修参数可被视为用于现代键价模型[布朗（2009年）。《化学评论》109卷，6858 - 6919页]的替代键价参数。
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