SCI论文中如何描述Raman的实验结果？

撰文：王海燕  所属专栏：SCI论文写作实验室

前言：

已经很长时间没有更新“细说表征”栏目了，今天来跟大家分享一下Raman的具体写法，希望对大家有所帮助！按照惯例，蓝色字体部分为模板。

1.  如何非常详细地描述Raman的实验结果？

举例：In order to obtain better confirmation on the presence of H₄SiMo₁₂O₄₀, Raman spectroscopic investigation was also conducted, because Raman spectroscopy is a sensitive technique to study supported metal oxide and it is complementary to IR investigation. The Raman spectra of the Mo^VI@mSiO₂ and its derived H₄SiMo₁₂O₄₀@mSiO₂ hollow spheres are displayed in Figure 8, with reference to those of pure mesoporous silica and commercial α-MoO₃. For pure mesoporous silica, the peak at 984 cm⁻¹ is attributed to stretching vibration of Si−OH bond and the peak at 821 cm⁻¹ to Si−O−Si linkages, while the two peaks at 648 and 487 cm⁻¹ are assigned to the presence of siloxane rings. Indeed, apart from the 488 cm⁻¹ peak, there are four new peaks observed for the Mo^VI@mSiO₂-20 sample in Figure 8a,which are characteristic of heptamolybdate species (Mo₇O₂⁴⁶⁻). The peaks at 952 and 878 cm⁻¹ are due to symmetric and asymmetric stretching of the terminal Mo=O bond, while the peaks at 374 and 223 cm⁻¹ are attributable to bending vibration of terminal Mo=O and deformation of Mo−O−Mo respectively. It is noted that no peaks corresponding to the MoO₃phase were observed, which indicates that the present thermal infusion method is effective to prepare highly dispersed molybdenum oxide within the mesoporous silica spheres. Afterthe hydration of Mo^VI@mSiO₂ with water, more Raman peaks appeared due to restructuring of surface heptamolybdate species. The peaks at 998−999,977−981, 910−913, 789, 645, and 247 cm⁻¹ can be unambiguously assigned to silicomolybdic acid, though it is still difficult to differentiate between the α and β forms of this solid acid (Figure 8b,c). In addition to those of silicomolybdic acid, the peaks at 818, 367 and 214−217, and 155 cm⁻¹ are also observed; these peaks could be attributed to the presence of the α-MoO₃ phase. Quite clearly, water could also facilitate the crystallization of surface heptamolybdate species to small α-MoO₃ clusters, which probably took place during the drying process (100 °C). The above observation is also consistent with our FT-IR findings, revealing that silicomolybdic acid is responsible for the high activity observed for the Friedel− Crafts alkylation.

参考文献：Zeng H. et al., J. Am. Chem. Soc. 2012, 134,16235−16246.

提炼语言模板：

为什么要做这个表征：In order to obtain better confirmationon the presence of 物种类型, Raman spectroscopic investigation was also conducted.

得到哪些信息，说明了什么问题：For 物种类型, the peaks at 峰位置 are attributable to/are attributed to/can be assigned to the symmetric and asymmetric stretching of 键型 bond/the bending vibration of 键型 and deformation of 键型, respectively.

The peaks at 峰位置 are also observed, which could be attributed to/could be assigned to the presence of /are characteristic of /correspondswell with 物种类型.

It is noted that no peaks corresponding to the 物种类型 were observed, which indicates

从这些信息还可以进一步得到什么：The above observation is also consistent with 其他表征手段findings, revealing that…

2. 由于Raman光谱在不同文章想要表达的观点不同，不同文章的描述结果可能略有不同。下面总结一些比较常见的写法供大家参考。

A. 指派型

Evidently, this spectrum has all the characteristics of an amorphous tungsten oxide (a-WO₃),namely all bands are broad and their relative band intensities are characteristic of a-WO₃.The band at around 960 cm^-1 again can be assigned to the terminal W=O stretching mode, possibly on the surface of the cluster and in microvoid structures in the film. The broad band centered at 760 cm^-1 most probably can be deconvoluted into several Raman peaks, including the strongest peaks at 715 and 807 cm^-1 of a monoclinic WO3.

参考文献：Augustynski J., J. Am. Chem. Soc., 2001, 123, 10639-10649.

B.  Raman作为佐证手段

Raman作为佐证手段，通常关注峰的有无,峰强度和峰位置的变化。

1) 峰的有无,峰强度的变化

UV Raman spectra of these samples indicate that the mixed phases of anatase and rutile coexist in the surface region. Namely, when the TiO₂ sample is calcined at 700– 750 ^oC, the phase junctions between anatase and rutile are derived on the surface of the rutile TiO₂, as characterized by UV Raman spectroscopy combined with XRD and visible Raman spectroscopy.

参考文献: Li C., Angew. Chem. Int. Ed. 2008, 47, 1766–1769.

Raman spectroscopy has proven to be a powerful, local structural probe for MnO₂.δ-phase MnO₂ has strong Raman-active (Mn-O) stretching transitions at 646 and 575 cm^-1. A somewhat weaker transition at 510 cm^-1 is also prominent but less intense in most δ-phase MnO₂ samples. All three of these characteristic Raman peaks are observed for MnO₂ films prepared using the multipulse procedure (Figure 5b), whereas a mp-MnO₂ nanowire prepared by multipulse deposition on quartz exhibits two of these at 656 and 568 cm^-1.Peaks at lower energies, including the 510 cm^-1 mode, cannot be observed because this spectral region is obscured by transitions of the quartz surface. Collectively the data of Figure 5suggests that the mp-MnO₂ nanowires have some birnessite character despite being X-ray amorphous.

参考文献：Penner Reginald M. et al., ACS nano, 2011, 5,8275–8287.

2) 峰强度和位置的变化

The agglomeration of graphene sheets is also confirmed with Raman spectroscopy as shown in Fig. 4. The D band of our sample is relatively intense compared to the G band, which is in agreement with previous results for graphene samples obtained from exfoliated GO. It was shown that alongthe graphite→GO_reduced→GO path the Raman spectra undergo significant changes. Specifically, the G band broadened significantly and displayed a shift to higher frequencies (blue-shift),and the D band grew in intensity. The Raman spectrum of our sample contains a G band at 1584 cm^-1, a D band at 1352 cm^-1 and the second-order features, at 2690 and 2910 cm^-1.The G band position (1584cm^-1) of our reduced graphene oxide powder sample is in good agreement with the literature, but the position is 3 cm^-1 higher than that of the initial graphite (1581 cm^-1).This shift was also observed when going from a graphite crystal to a single graphene sheet, in which the G band shifts to a value 3– 6 cm^-1 higher than for bulk graphite. The D band around 1350 cm^-1 arises from disorder, and is very weakin a single graphene sheet but increases in intensity with the number of layers. Thus, the shift of the G band and relatively intense D band indicate small stacks of quite disordered graphene sheets.

参考文献： Srinivas G., Carbon, 2010, 4 8, 630-635.

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