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

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: 2 March 2012
Fund Project: 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)

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.
- Methyl red,
- UV-visible absorption spectrum,
- Overlap peak,
- Acid dissociation constant,
- Multi-peaks Gaussian fitting
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