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Structure and Two-dimensional Correlation Infrared Spectroscopy Study of a New One-dimensional Chain Compound: (4,4’-Hbpy)_3[NaMo_8O_(26)](4,4’- bpy)_2(H_2O)_4 (bpy = Bipydine) 被引量:2
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作者 陈义平 张汉辉 +3 位作者 柯大梅 沈小敏 黄长沧 孙瑞卿 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2005年第9期1033-1038,共6页
A novel compound, (4,4'-Hbpy)3[NaMo8O26](4,4'-bpy)2(H2O)4 1 (bpy=bipydine), was synthesized by the hydrothermal method. Single-crystal X-ray diffraction shows that compound 1 belongs to the monoclinic system... A novel compound, (4,4'-Hbpy)3[NaMo8O26](4,4'-bpy)2(H2O)4 1 (bpy=bipydine), was synthesized by the hydrothermal method. Single-crystal X-ray diffraction shows that compound 1 belongs to the monoclinic system, space group C2/m with a=19.1921(5), b=18.6931(6), c=9.3821(3) A° β=104.8020(11)°, V=3254.22(17)A°^3 C50H51Mo8N10NaO30, Mr=2062.52, Z=2, F(000)=2016, μ=1.591 mm^-1 and Dc=2.105 g/cm^3. The final R=0.0283 and wR=0.0912 for 3118 observed reflections (I〉20(I)). Compound 1 contains the β-[Mo8O26]^4-anion, sodium ion, 4,4'-bpy and lattice crystalline water molecules. The β-[MosO26] units link the sodium ion to form a chain structure. The infinitechains of [Na(Mo8O26)]^3- blocks are surrounded by protonized 4,4'-bpy cations, 4,4'-bpy and lattice crystalline water molecules. The 2D-IR correlation spectroscopy study indicates that the stretching vibrations of Mo=O occur more preferentially due to the thermal effect. The TGA analysis shows that compound 1 has high thermal stability. 展开更多
关键词 OCTAMOLYBDATE sodium ion two-dimensional infrared 2d-ir correlation spectroscopy
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Structural characterization of steam-heat treated Tectona grandis wood analyzed by FT-IR and 2D-IR correlation spectroscopy 被引量:4
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作者 Ming-Yu Li Shi-Chao Cheng +3 位作者 Dan Li Shen-Nan Wang An-Min Huang Su-Qin Sun 《Chinese Chemical Letters》 SCIE CAS CSCD 2015年第2期221-225,共5页
The properties of wood can be improved through steam-heat treatment.There are many studies about mechanical properties of steam-heat treated wood,but very few studies are on the aspects of chemical modifications.In th... The properties of wood can be improved through steam-heat treatment.There are many studies about mechanical properties of steam-heat treated wood,but very few studies are on the aspects of chemical modifications.In this study,FT-IR spectra combined with SD-IR spectra,correlation coefficients and 2DIR spectra are employed to analyze the chemical modifications of teak[Tectona grandis L.F.) wood during steam-heat treatment under treatment temperatures from 120 ℃ to 220 ℃ at intervals of 20 ℃.Acetic acid,which is produced during steam-heat treatment,acts as a catalyst of condensation and degradation reactions of wood components.The changes of wood components are more and more intense with increasing the treatment temperature.The sensitivity of wood samples to thermal perturbation rises initially with increasing treatment temperature before falling back.The steam-heat treated wood under180℃ is the most sensitive. 展开更多
关键词 Teak wood Steam-heat treatment FT-IR spectroscopy The correlation coefficients 2d-ir spectroscopy
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Comparing the Structures of Two Allomorphic Polyoxotungstates and the Difference in Weak Interactions by Thermal-dependent 2D-COS IR to Identify
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作者 刘婷玉 陈义平 +3 位作者 黄晓辉 陈宁 黄梦梦 孙燕琼 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第11期1665-1674,共10页
A three-dimensional (3D) Keggin-type heteropolytungstate{Zn(phen)3}3[ZnW12O40]·9H2O 1 (phen = 1,10-phenanthroline) has been synthesized through a conventional hydrothermal synthesis and was characterized by... A three-dimensional (3D) Keggin-type heteropolytungstate{Zn(phen)3}3[ZnW12O40]·9H2O 1 (phen = 1,10-phenanthroline) has been synthesized through a conventional hydrothermal synthesis and was characterized by X-ray single-crystal diffraction analysis, X-ray powder diffraction (XRD), IR, UV-DRS, thermogravimetric analysis (TGA), thermal-dependent 2D-IR correlation spectroscopy (2D-COS IR) and Raman spectrum. Crystal data for compound 1: trigonal system, space group R3 with a = b = 25.268(4), c = 17.462(5) A, ), = 120°, V= 9655(4) A3 and Z = 3. Compound 1 is allomorphic to {Co(phen)3}3[CoW12O40]·9H2O 2, which has been reported by Feng Chai et al. In compound 2, its prominent feature is that the decisive role of water molecules (O-H…O) builds a 3D supramolecular structure. However, in the structure of compound 1, the interlayer space is filled by Zn(phen)3]2+ cations which linked the layers via C-H…O hydrogen bonding interactions to construct a three-dimensional framework. Two compounds are different in weak interactions, so we identify them by Thermal-dependent 2D-COS IR. Moreover, the fluorescence of compound 1 was also described. 展开更多
关键词 Keggin-type polyoxotungstates hydrothermal synthesis thermal-dependent 2d-ir correlation spectroscopy Raman spectra luminescence
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鱼粉、豆粕样本-样本二维相关近红外光谱判别 被引量:3
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作者 吕程序 陈龙健 +1 位作者 杨增玲 韩鲁佳 《农业机械学报》 EI CAS CSCD 北大核心 2012年第12期141-145,共5页
为了探讨利用二维相关近红外光谱法快速判别鱼粉和豆粕饲料原料的可行性,共收集了52个鱼粉、60个豆粕样品,其中34个鱼粉和40个豆粕样品作为定标集,其余18个鱼粉和20个豆粕样品作为独立验证集,用Spectrum400型近红外光谱仪扫描获取光谱,... 为了探讨利用二维相关近红外光谱法快速判别鱼粉和豆粕饲料原料的可行性,共收集了52个鱼粉、60个豆粕样品,其中34个鱼粉和40个豆粕样品作为定标集,其余18个鱼粉和20个豆粕样品作为独立验证集,用Spectrum400型近红外光谱仪扫描获取光谱,并对其特征峰进行解析。采用样本-样本二维相关分析方法定性判别鱼粉、豆粕,当预处理方法为一阶导数时,判断正确率为100%。与偏最小二乘判别分析方法相比,二者均可正确检测鱼粉、豆粕,其中二维相关方法的建模及验证算法简单、计算量小、运算速度快。 展开更多
关键词 鱼粉 豆粕 二维相关光谱 近红外光谱 判别
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乙醇丙酮体系的广义二维相关近红外光谱分析
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作者 刘浩 董颖 +2 位作者 黄艳萍 屈凌波 相秉仁 《化学试剂》 CAS 北大核心 2015年第6期524-528,共5页
利用近红外及二维相关光谱进行了丙酮乙醇两种试剂体系的结构分析。首先检测30~50℃范围内(每隔2℃)的近红外光谱,结合近红外光谱、二维相关光谱及相关文献,对乙醇丙酮体系的分子结构(特别是氢键)进行了分析。近红外光谱的特征峰在... 利用近红外及二维相关光谱进行了丙酮乙醇两种试剂体系的结构分析。首先检测30~50℃范围内(每隔2℃)的近红外光谱,结合近红外光谱、二维相关光谱及相关文献,对乙醇丙酮体系的分子结构(特别是氢键)进行了分析。近红外光谱的特征峰在一维图上变化不明显,借助于二维相关分析,提高了分辨率和可解释性。特别是分析了两种氢键羟基的存在,发现了烯醇羟基形成氢键及甲基与羰基形成氢键的证据,确定了不同分子结构之间的变化先后顺序,并进行了本体系近红外峰的归属。研究结果将有利于更深刻地理解该类试剂,为其进一步研究和使用提供参考。 展开更多
关键词 近红外光谱 二维相关光谱 丙酮 乙醇
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原位检测组织非特异碱性磷酸酶活性的二维相关分析校正
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作者 任重远 Saida Mebarek +1 位作者 RenéBuchet 吴玉清 《光谱学与光谱分析》 SCIE EI CAS CSCD 北大核心 2020年第S01期69-70,共2页
在以人成骨肉瘤细胞株(Saos-2)为模型,利用α-D-葡萄糖-1-磷酸(α-G-1-P)为生理底物,原位检测组织非特异性碱性磷酸酶(TNAP)活力时,红外(IR)光谱峰位选取不准确和谱带严重重叠无法分辨/分离等都将给酶活力的测试结果带来偏差。二维相关... 在以人成骨肉瘤细胞株(Saos-2)为模型,利用α-D-葡萄糖-1-磷酸(α-G-1-P)为生理底物,原位检测组织非特异性碱性磷酸酶(TNAP)活力时,红外(IR)光谱峰位选取不准确和谱带严重重叠无法分辨/分离等都将给酶活力的测试结果带来偏差。二维相关分析与IR光谱的结合使用将在一定程度上改进上述问题,将在文中具体阐述。 展开更多
关键词 人成骨肉瘤细胞 TNAP α-D-葡萄糖-1-磷酸 IR光谱 二维相关分析
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Syntheses,Crystal Structures and Intermolecular Interactions of Cu(Ⅱ) Complexes with Methyl- benzoic Acid(MBA) and 1,10-Phenanthroline
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作者 吴新建 陈义平 +2 位作者 夏则明 葛素志 柴凤 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第11期1724-1732,共9页
Two cupric complexes containing methylbenzoic acid have been prepared and crystallized by solvent evaporation method in DMF. The single-crystal X-ray crystallographic analysis reveals that they are dicaryon complexes.... Two cupric complexes containing methylbenzoic acid have been prepared and crystallized by solvent evaporation method in DMF. The single-crystal X-ray crystallographic analysis reveals that they are dicaryon complexes. Complex I with formula of [Cu2(m- MBA)4DMF2] crystallizes in monoclinic with space group of P21/c and complex 2 with formula of [Cuz(o-MBA)ffo-phen)2]·NO3·H2O crystallizes in triclinic with space group of P I. The weak interactions including C-H...O hydrogen bonds, C-H…π interactions and π-π stacking in the structures of two complexes are observed from the X-ray crystallographic data. In addition, there are still classical hydrogen bonds in 2. The different strength of intermolecular interaction in the structure is reflected on their different thermal stability measured by thermal gravimetric analysis and 2D-1R correlation spectroscopy of two complexes. The study of weak interactions is meaningful to provide supporting data for supramolecular chemistry theory and potential applications in molecular biology. 展开更多
关键词 cupric complex crystal structure methylbenzoicacid 2d-ir correlation spectroscopy
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Synthesis and characterization of a new catalyst for RhB degradation constructed by[SiMo_(12)O_(40)]^(4-) anionic cluster 被引量:1
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作者 Hao Wang Yi-Ping Chen +3 位作者 Zhu-Chai You Meng-Xi Zhou Ning Zhang Yan-Qiong Sun 《Chinese Chemical Letters》 SCIE CAS CSCD 2015年第2期187-192,共6页
A Keggin-type polyoxomolybdate[H2biim]{Ni(biim)3(SiMO12O40)}[biim =1H,1'H-[2,2']biimidazolyl]has been synthesized under hydrothermal condition and characterized by XRD,temperature-dependent IR,TG,temperature-ind... A Keggin-type polyoxomolybdate[H2biim]{Ni(biim)3(SiMO12O40)}[biim =1H,1'H-[2,2']biimidazolyl]has been synthesized under hydrothermal condition and characterized by XRD,temperature-dependent IR,TG,temperature-induced and magnetism-induced 2D infrared correlation spectroscopy(2D-IR COS)and UV-vis DRS in order to explore the relationship between structure and properties.Temperatureinduced 2D-IR COS spectroscopy indicates that the terminal Mo-Oμ/υbonds are more sensitive than the bridging Mo=Ot,bands to temperature variation,which is in agreement with the conclusion of temperature-dependent IR.Magnetism-dependent 2D-IR COS spectroscopy reveals the stretching vibration of the Mo=Ot,occurs prior to the stretching vibration of the Mo-Oμ/υ,which is due to the coordination environment and the valence of the Si atom.The stability of compound 1 is investigated via TG and temperature-dependent IR.In RhB degradation,compound 1 shows good photocatalytic abilities. 展开更多
关键词 2D infrared correlation spectroscopy Photocatalytic degradation of RhB Silicon molybdenum polyoxometalate
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