2013
DOI: 10.1155/2013/942302
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Structural Preferences and Vibrational Analysis of 2-Hydroxy-2-methyl-1-phenylpropan-1-one: A Computational and Infrared Spectroscopic Research

Abstract: The Fourier transform infrared (FTIR) spectrum of 2-hydroxy-2-methyl-1-phenylpropan-1-one has been measured in the region 4000–700 . The most stable conformation of title molecule was found after a careful potential energy surfaces study. The molecular geometry, vibrational frequencies, and infrared intensities have been calculated by using ab initio HF and density functional theory calculation B3LYP with 6-311+ basis set. Scaled frequencies and potential energy distribution were calculated for band assignment… Show more

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Cited by 12 publications
(3 citation statements)
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“…The FTIR spectrum of 2-hydroxy-2-methylpropiophenone (PI) in its undissociated form (i.e., before irradiation) has a strong band centered around 1680 cm −1 [ 37 ]; indeed, this band appeared in the spectrum of the non-irradiated CM + PI formulation, as shown in Figure 3 b, in the 1690–1660 cm −1 region (enlarged in the inset in Figure 3 ).…”
Section: Resultsmentioning
confidence: 99%
“…The FTIR spectrum of 2-hydroxy-2-methylpropiophenone (PI) in its undissociated form (i.e., before irradiation) has a strong band centered around 1680 cm −1 [ 37 ]; indeed, this band appeared in the spectrum of the non-irradiated CM + PI formulation, as shown in Figure 3 b, in the 1690–1660 cm −1 region (enlarged in the inset in Figure 3 ).…”
Section: Resultsmentioning
confidence: 99%
“…The SBA-15-MB composite material still has the prominent characteristic peaks of SBA-15. The characteristic peaks of methylene blue appear in the wavenumber 675-900 cm -1 is assigned to the outof-plane C-H bending vibration of on the benzene ring [22], 1,382 cm -1 is given to the symmetric deformation vibration of methyl group, 1,557 cm -1 is attributed to the vibration peak of the benzene ring in methylene blue [23], The peak at 1480 cm -1 is attributed to 𝐶 𝐶 stretching vibration. Finally, the peak at 2400 is due to adsorbed MB in SBA-15 [24].…”
Section: Ftirmentioning
confidence: 99%
“…During the UV curing process at industrial scale in this field of application, radical photoinitiators are generally applied in excess in order to favour their reactivity, usually at concentrations ranging from 2 to 10% (by weight of the total photocurable formulation). Within the large group of known photoinitiators structures,hydroxyalkylphenones have gained much interest due to their high reactivity, thermal stability and universal applicability (Seidl et al 2006;Kaczmarek and Vukovic-Kwiatkowsk 2012;Belaidi et al 2013). Darocur 1173…”
Section: Introductionmentioning
confidence: 99%