紫外-可见吸收光谱结合高斯多峰拟合技术测定甲基红酸离解常数

引用本文: 张建华, 刘琼, 陈玉苗, 刘兆清, 徐常威. 紫外-可见吸收光谱结合高斯多峰拟合技术测定甲基红酸离解常数[J]. 物理化学学报, 2012, 28(05): 1030-1036. doi: 10.3866/PKU.WHXB201203025 shu

Citation: ZHANG Jian-Hua, LIU Qiong, CHEN Yu-Miao, LIU Zhao-Qing, XU Chang-Wei. Determination of Acid Dissociation Constant of Methyl Red by Multi-Peaks Gaussian Fitting Method Based on UV-Visible Absorption Spectrum[J]. Acta Physico-Chimica Sinica, 2012, 28(05): 1030-1036. doi: 10.3866/PKU.WHXB201203025 shu

紫外-可见吸收光谱结合高斯多峰拟合技术测定甲基红酸离解常数

基金项目:
国家自然科学基金(20903028) (20903028)

留学回国人员科研启动基金及羊城学者青年科研骨干培养对象项目(10A041G)资助 (10A041G)

摘要: 在一定pH 值范围内, 甲基红(MR)水溶液紫外-可见吸收光谱特征是酸式甲基红(HMR)最大吸收峰((530±15) nm)与碱式甲基红(MR^-)最大吸收峰((435±20) nm)叠合在一起. 本文用高斯多峰拟合技术实现了HMR和MR^-叠合峰的分峰拟合计算. 拟合计算输出两个吸收峰的积分面积即峰强度A₁和A₂, A₁和A₂之比与MR^-和HMR浓度之比. 进而计算甲基红水溶液酸离解平衡常数pK_a. 用本方法测量298.15 K 时的pK_a值为4.76. 拟合优度高, 拟合度R²、拟合优度χ²分别达到0.998 和10^-5以下. 深入探讨了表面活性剂十二烷基硫酸钠(SDS)、十六烷基三甲基溴化铵(CTAB)聚集行为对甲基红pK_a的影响. 与传统分光光度测量方法相比, 紫外-可见吸收光谱结合高斯多峰拟合技术结果更可靠, 测量步骤和数据处理过程更简单, 更具有普适性.

关键词:

English

Determination of Acid Dissociation Constant of Methyl Red by Multi-Peaks Gaussian Fitting Method Based on UV-Visible Absorption Spectrum

1.
School of Chemistry and Chemical Engineering, Guangzhou University, Guangzhou 510006, P. R. China
Received Date: 22 December 2011
Available Online: 26 April 2012
Fund Project:
国家自然科学基金(20903028)

留学回国人员科研启动基金及羊城学者青年科研骨干培养对象项目(10A041G)资助

Abstract: UV-visible electronic absorption spectra of methyl red aqueous solutions are characterized by the overlap of a principal peak at λ_max ((520±15) nm) with a shoulder peak at λ_max ((435±20) nm), which are assigned to acidic species (HMR) and basic species (MR^-) of methyl red, respectively. In this study, the spectra and the integrated absorbance of the MR^- and HMR peaks (denoted A₁ and A₂, respectively) were interpreted using a new multi-peaks Gaussian fitting method. From the absorbance ratio A₁/A₂ and the concentration ratio c_MR-/c_HMR, the average acid dissociation constant (pK_a) was determined as 4.76 at 298.15 K. The odness is high and the values of R² (degree of fitting) and χ² (chi-square test for odness of fit) were 0.998 and below 10^-5, respectively. The effects of aggregation behavior of sodium dodecyl sulfate (SDS) and cetylammonium bromide (CTAB) on pK_a were also investigated via this method. The multi-peaks Gaussian fitting method was shown to determine pK_a more reliably and simply than traditional spectrophotometric techniques.

Key words:

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沈阳化工大学材料科学与工程学院沈阳 110142

紫外-可见吸收光谱结合高斯多峰拟合技术测定甲基红酸离解常数

English

Determination of Acid Dissociation Constant of Methyl Red by Multi-Peaks Gaussian Fitting Method Based on UV-Visible Absorption Spectrum

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

紫外-可见吸收光谱结合高斯多峰拟合技术测定甲基红酸离解常数

English

Determination of Acid Dissociation Constant of Methyl Red by Multi-Peaks Gaussian Fitting Method Based on UV-Visible Absorption Spectrum

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

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