Inelastic neutron scattering of model compounds for surface formates Potassium formate, copper formate and formic acid
Inelastic neutron scattering of model compounds for surface formates Potassium formate, copper formate and formic acid
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表面甲酸盐模型化合物的非弹性中子散射 甲酸钾、甲酸铜和甲酸
DOI：
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发表时间：
1997
期刊：
影响因子：
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通讯作者：
S. Parker
中科院分区：
文献类型：
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作者：
P. Mitchell;R. Holroyd;S. Poulston;M. Bowker;S. Parker
作为研究具有非弹性的表面甲酸盐物种的前奏
中子散射 (INS) 我们使用 INS 来获得振动
模型化合物无水甲酸钾 (KHCOO) 的光谱
甲酸铜 [Cu(HCOO)
2
], 水合甲酸铜
[铜(HCOO)
2
·4小时
2
O]和甲酸。这些
将数据与红外光谱和拉曼光谱进行比较。在 INS 中我们观察到
甲酸钾和甲酸铜的振动模式以前没有
红外和拉曼研究中报道，包括解放模式
甲酸铜，约600 厘米
-1
。亲戚
甲酸盐带的强度与那些非常不同
在红外光谱和拉曼光谱中观察到，并且在
研究了三种化合物。两种最强烈的甲酸盐基本
INS 频谱中的振动是 C-H 面外弯曲和
C-H 面内弯曲，两者在红外中的强度都很低
和拉曼光谱。在 INS 谱中，相对强度
这些模式在所研究的化合物之间差异很大，表明
INS 强度的结构依赖性。
As a prelude to the study of surface formate species with inelastic
neutron scattering (INS) we have used INS to obtain the vibrational
spectra of the model compounds potassium formate (KHCOO), anhydrous
copper formate [Cu(HCOO)
2
], hydrated copper formate
[Cu(HCOO)
2
·4H
2
O] and formic acid. These
data are compared to IR and Raman spectra. In INS we observe
vibrational modes for both potassium and copper formate not previously
reported in IR and Raman studies, including a librational mode of
copper formate at ca. 600 cm
-1
. The relative
intensities of the formate bands are very different from those
observed in IR and Raman spectra and vary considerably between the
three compounds studied. The two most intense formate fundamental
vibrations in the INS spectrum are the C–H out-of-plane bend and
the C–H in-plane bend, both of which have low intensity in IR
and Raman spectra. In the INS spectrum the relative intensities of
these modes vary considerably between the compounds studied indicating
a structural dependency of the INS intensities.