乙基纤维素分子漫反射近红外光谱组学研究
Study onDiffuse Reflection Near-infrared Spectroscopy of Ethyl Cellulose Molecules
程瑶 1段冰洁 2尹昭 2李泷帆 2罗梦雪 2吉一帆 2王春润 3于宏伟4
作者信息
- 1. 河北一品制药股份有限公司,河北 石家庄 050000
- 2. 石家庄学院 化工学院,河北 石家庄 050035
- 3. 河北科技大学 化学与制药工程学院,河北 石家庄 050018
- 4. 石家庄学院 化工学院,河北 石家庄 050035;河北省麻醉药技术创新中心,河北 石家庄,050035
- 折叠
摘要
一维漫反射近红外(NIR)光谱及一维原位漫反射NIR光谱分别开展了乙基纤维素分子结构及平均吸收频率/吸收强度的研究.二维原位漫反射NIR光谱则进一步开展了乙基纤维素分子官能团变化快慢顺序的研究.实验发现,乙基纤维素分子结构的NIR光谱吸收模式主要包括:CH3 官能团中红外(MIR)对称弯曲振动模式(δsCH3-一维-MIR)的二级倍频(ν5一维-NIR)、缔合O-H官能团MIR伸缩振动模式(νO-H-缔合-一维-MIR)的一级倍频(ν2一维-NIR)、缔合O-H官能团MIR伸缩振动模式的二级倍频(ν1一维-NIR)、C-H官能团MIR伸缩振动模式和CH3 官能团MIR对称伸缩振动模式(νsCH3-一维-MIR)的合频(ν-4一维-NIR)、CH3 官能团MIR不对称伸缩振动模式(νasCH3-一维-MIR)和CH2官能团MIR不对伸缩振动模式(νasCH2-一维-MIR)的合频(ν-3-一维-NIR).室温下,乙基纤维素分子官能团变化快慢顺序存在着一定的差异性.变化顺序为:5785 cm-1(ν4-1-二维-NIR)>5755 cm-1(ν4-3-二维-NIR)>5765 cm-1(ν4-2-二维-NIR);5895 cm-1(ν3-1-二维-NIR)>5875 cm-1(ν3-2-二维-NIR);6975 cm-1(ν2-1-二维-NIR)>6965 cm-1(ν2-2-二维-NIR);10990 cm-1(ν1-3-二维-NIR)>11025 cm-1(ν1-1-二维-NIR)>11010 cm-1(ν1-2-二维-NIR).漫反射NIR光谱组学(包括:一维漫反射NIR光谱、一维原位漫反射NIR光谱和二维原位漫反射NIR光谱)技术可以有效开展乙基纤维素分子结构研究.
Abstract
The molecular structure and average absorption frequency/intensity of ethyl cellulose were studied by using one-dimensional diffuse reflection near-infrared(NIR)spectroscopy and one-dimensional in-situ dif-fuse reflection NIR spectroscopy respectively.The two-dimensional in-situ diffuse reflection NIR spectroscopy further investigated the order of changes in the functional groups of ethyl cellulose molecules.The experiment found that the NIR spectral absorption modes of the molecular structure of ethyl cellulose mainly included CH3 functional group mid infrared(MIR)symmetric bending vibration mode(δsCH3-one-dimensional-MIR)two-level frequen-cy doubling(ν5-one-dimensional-NIR),associated O-H functional group MIR stretching vibration mode(νO-H-associated-one-dimensional-MIR)one-level frequency doubling(ν2-one-dimensional-NIR),associated O-H functional group MIR stretching vibration mode two-level frequency doubling(ν1-one-dimensional-NIR),C-H functional group MIR stretching vibration mode and CH3 functional group MIR symmetric stretching vibration mode(νsCH3-one-dimensional-MIR)frequency combination(ν-4-one-dimensional-NIR),CH3 functional group MIR asymmetric stretching vibration mode(νasCH3-one-dimensional-MIR)and CH2 functional group MIR asymmetric stretching vibration mode(νasCH2-one-dimensional-MIR)fre-quency combination(ν-3-one-dimensional-NIR).At room temperature,there was a certain difference in the order of the chan-ges in the functional groups of ethyl cellulose molecules.The order of changes was 5785 cm-1(ν4-1-two-dimensional-NIR)>5755 cm-1(ν4-3-two-dimensional-NIR)>5765cm-1(ν4-2-two-dimensional-NIR),5895cm-1(ν3-1-two-dimensional-NIR)>5875cm-1(ν3-2-two-dimensional-NIR),6975cm-1(ν2-1-two-dimensional-NIR)>6965cm-1(ν2-2-two-dimensional-NIR),10990cm-1(ν1-3-two-dimensional-NIR)>11025cm-1(ν1-1-two-dimensional-NIR)>11010cm-1(ν1-2-two-dimensional-NIR).The diffuse reflection NIR spectroscopy(including one-dimensional diffuse reflection NIR spectroscopy,one-dimensional in-situ diffuse reflection NIR spectroscopy and two-dimensional in-situ diffuse reflection NIR spectroscopy)technology can effectively carry out the study of the mo-lecular structure of ethyl cellulose.
关键词
乙基纤维素/一维漫反射近红外光谱/一维原位漫反射近红外光谱/二维原位漫反射近红外光谱/结构Key words
ethyl cellulose/one-dimensional diffuse reflection near infrared spectroscopy/one-dimen-sional in situ diffuse reflection near infrared spectroscopy/two-dimensional in situ diffuse reflection near infrared spectroscopy/structure引用本文复制引用
出版年
2025
国家科技期刊平台
NSTL
万方数据