“Estimation of Ground and Excited State Dipole Moments of aryl Boronic acid Derivative by Solvatochromic Shift Method-
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- 作者：G. V. Muddapur (1)
N. R. Patil (1)
S. S. Patil (2)
R. M. Melavanki (3)
R. A. Kusanur (4) - 关键词：Solvent polarity ; DFT ; Boronic acid ; Kamlet ; Taft ; Angle between dipole moments
- 刊名：Journal of Fluorescence
- 出版年：2014
- 出版时间：November 2014
- 年：2014
- 卷：24
- 期：6
- 页码：1651-1659
- 全文大小：1,345 KB
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文摘
In the present work, the absorption and fluorescence spectra of newly synthesized aryl boronic acid derivative namely 2-Methylphenyl boronic acid (2MPBA) have been recorded in various solvents of different polarities. The ground state dipole moment of 2MPBA was obtained from quantum chemical calculations. Solvatochromic correlations were used to estimate the ground state (μ g ) and excited state (μ e ) dipole moments. The excited state dipole moments are observed to be greater than the ground state dipole moment and ground and excited state dipole moments are not parallel but subtend by an angle of 880. Further, the changes in dipole moment (Δμ) were calculated both from solvatochromic shift method and microscopic solvent polarity parameter (E T N ), and the value are compared. The spectral variations were analyzed by Kamlet-Taft parameters.