Mössbauer studies on nitrogen fixation model compounds with monocubane configuration [(Et4 N) MoFe3 S4 (Et2dtc)5] • CH3 CN

Youtong Wang

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Mössbauer studies on nitrogen fixation model compounds with monocubane configuration [(Et₄ N) MoFe₃ S₄ (Et₂dtc)5] • CH₃ CN

更新时间：2022-09-13

- Mössbauer studies on nitrogen fixation model compounds with monocubane configuration [(Et₄ N) MoFe₃ S₄ (Et₂dtc)5] • CH₃ CN
- Nuclear Techniques Vol. 10, Issue 8, (1987)
- 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：03 February 1986，
  
  Published：1987-08
- 稿件说明：
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Youtong Wang. Mössbauer studies on nitrogen fixation model compounds with monocubane configuration [(Et₄ N) MoFe₃ S₄ (Et₂dtc)5] • CH₃ CN[J]. Nuclear techniques, 1987, 10(8): 17-19,60.
DOI：

Youtong Wang. Mössbauer studies on nitrogen fixation model compounds with monocubane configuration [(Et₄ N) MoFe₃ S₄ (Et₂dtc)5] • CH₃ CN[J]. Nuclear techniques, 1987, 10(8): 17-19,60. DOI：

摘要

本实验测定了单立方烷固氮模拟物（Et

N）［MoFc

（Et

dtc）

］·CH

CN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为(在15.5℃时）:对于Fe

=0.406±0.04mm/s;

ΔE

=1.107±0.04mm/s；线宽为0.296±0.04mm/s；对于Fe

，

=0.266±0.04mm/s;

ΔE

=0.395±0.04mm/s；线宽为0.462± 0.04mm/s。化学位移δ值是相对于

-Fe的。这两组四极分裂双峰的面积比约为3:1。由Fe

的化学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

与价态

的经验公式

=1.44-0.43S可得出Fe

的平均价态为高自旋+2.5价。从穆斯堡尔参数可确定Fe

属于高自旋+3价。

Abstract

Mössbauer spectra of nitrogen model compounds with monocubane configration [(Et

N)MoFe

(Et

dtc)

] • CH

CN have been measured for the first time. The data have been fitted successfully with a least-squares fitting computer program The Mössbauer parameters measured at 15.5℃ are as follows: For Fe

=0.406±0.04mm/s

ΔE

=1.107±0.04 mm/s

the line width is 0.296±0.04 mm/s;For Fe

δ=0.266±0.04 mm/s

ΔE

=0.395 ±0.04 mm/s

the line width is 0.0462±0.04 mm/s. The isomer shift is relative to

-Fe. The ratio of quadrupole split area for Fe

and Fe

is about 2:1. With these parameters we found that Fe

is in+3 high spin state. Using the empirical formula of the isomer shift

and the mean oxidation state S of Fe atoms in tetrahedron FeS

=1.44-0.43S

we have obtained the result that Fe

is in +2.5 high spin state.

关键词

Keywords

references

T. E. Wolff et al. , Inorg. Chem. , 20 , 174 ( 1981 ).

P. K. Mascharak et al. , J. Am. Chem. Soc. , 105 , 475 ( 1983 ).

R. E. Palermo and R. H. Holm , J. Am. Chem. Soc. , 105 , 4310 ( 1983 ).

G. Christou et al. , J. Am. Chem. Soc. , 104 , 2820 ( 1982 ).

刘秋田等，结构化学 , 2 , 291 ( 1983 )。

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