SCI论文中如何描述Raman的实验结果？

小明同学

                                                                                                   

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 MoVI@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 MoVI@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 MoO3 phase were observed, which indicates that the present thermal infusion method is effective to prepare highly dispersed molybdenum oxide within the mesoporous silica spheres. After the hydration of MoVI@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 5 suggests 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→GOreduced→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 weak in 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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