Mössbauer studies on nitrogen fixation model compounds with double-cubane configuration (Et4N)4[Mo2Fe7S8(sph)12]

Youtong Wang

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Mössbauer studies on nitrogen fixation model compounds with double-cubane configuration (Et₄N)₄[Mo₂Fe₇S₈(sph)₁₂]

更新时间：2022-08-16

- Mössbauer studies on nitrogen fixation model compounds with double-cubane configuration (Et₄N)₄[Mo₂Fe₇S₈(sph)₁₂]
- Nuclear Techniques Vol. 13, Issue 1, (1990)
- 作者机构：
  
  中国科学院福建物质结构研究所
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Received：16 March 1988，
  
  Published：01 January 1990
- 稿件说明：
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Youtong Wang. Mössbauer studies on nitrogen fixation model compounds with double-cubane configuration (Et₄N)₄[Mo₂Fe₇S₈(sph)₁₂][J]. Nuclear techniques, 1990, 13(1): 37-40.
DOI：

Youtong Wang. Mössbauer studies on nitrogen fixation model compounds with double-cubane configuration (Et₄N)₄[Mo₂Fe₇S₈(sph)₁₂][J]. Nuclear techniques, 1990, 13(1): 37-40. DOI：

摘要

本实验测定了双立方烷固氮模拟物（Et

N）

[Mo

（sph）

]的穆斯堡尔谱。它是由两组对称的四极分裂双峰叠加而成。实验数据用最小二乘法计算机程序拟合。经计算机拟合后的穆斯堡尔参数（在16℃时）为：对于Fe

δ=0.315±0.002mm/s

∆E

=0.691±0.002mm/s，线宽为0.304± 0.002mm/s；对于Fe

δ=0.972±0.002mm/s

∆E

=1.741±0.002mm/s，线宽为0.273±0.002 mm/s。化学位移δ值是相对于α-Fe的。这两组四极分裂双峰的面积比约为6:1。由Fe

的位移和四极裂距可确定它是高自旋态，价态在+2至+3之间。利用四面体FeS

中铁原子的化学位移δ与价态

的经验公式δ=1.44-0.43

可得出Fe

的平均价态为高自旋+2.67价。从穆斯堡尔参数可确定Fe

属于高自旋+2价。由此可推论Mo为+3价。

Abstract

Mössbauer spectra of nitrogen model compounds with double-cubane configuration (Et

[Mo

(sph)

] have been measured. The data have been fitted successfully with a least-squares fitting computer program. The Mössbauer parameters measured at 16℃ are as follows. For Fe

δ=0.315±0.002mm/s

∆E

=0.691±0.002mm/s and the line width is 0.304±0.002mm/s; For Fe

δ=0.972±0.002mm/s

ΔEQ

=1.741±0.002mm/s and the line width is 0.273±0.002mm/s. The isomer shift δ is relative to α—Fe. The ratio of quadrupole split areas for Fe

and Fe

is about 6:1. From these parameters it is found that Fe

is in +2 high spin state. Using an empirical formula about the isomer shift δ and the mean oxidation state s of Fe atoms in tetrahedron FeS

:d=1.44-0.43s

we have deduced that Fe

is in +2.67 high spin state.

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references

E. Münck et al . , Biochim. Biophys. Acta , 400 ( 1975 ), 32 .

中国科学院福建物质结构研究所固氮组，科学通报， 20 （ 1975 ）， 20 ； 25 （ 1980 ）， 191 .

W. E. Newton and W. H. Orme-Johnsoned. , Nitrogen fixation , Vol.1 , University Park Press , BaY. timore , 1980 , p. 343 .

K. S. Hagon et al . , Inorg. Chem. , 21 ( 1982 ), 3928 .

K. S. Hagen et al . , Inorg. Chim Acta , 45 （ 1980 ）, L17 .

K. S. Hagen et al . , J. Am. Chem. Soc. , 103 （ 1981 ）, 4054 .

T. E. Wolff et al . , Inorg. Chem. , 19 （ 1980 ） 430 .

R. E. Palermo et al . , Inorg. Chem. , 21 （ 1982 ）, 173 .

T. E. Wolff et al . , J. Am. Chem. Soc. , 101 （ 1979 ）, 5454 .

T. E. Wolff et al . , J. Am. Chem. Soc. , 102 （ 1980 ）, 4694 .

康北笙等，化学学报， 44 （ 1986 ）， 781 。

王友桐，核技术，（ 1987 ）, 8 : 17 。

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