The vibrational spectrum of the benzophenone molecule

Blažević, J.; Colombo, L.

doi:10.1002/jrs.1250110302

Cited by 21 publications

(5 citation statements)

References 16 publications

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“…The corresponding ground state vibrational frequencies were calculated by Blazevic and Colombo [48] to be 45 and 50 cm À1 . The present theoretical calculation also yields nearly the same result.…”

Section: Species [1] Ramanmentioning

confidence: 99%

DFT calculation and Raman excitation profile studies of benzophenone molecule

Sett¹,

Misra²,

Chattopadhyay³

et al. 2007

Vibrational Spectroscopy

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Section: Species [1] Ramanmentioning

confidence: 99%

DFT calculation and Raman excitation profile studies of benzophenone molecule

Sett¹,

Misra²,

Chattopadhyay³

et al. 2007

Vibrational Spectroscopy

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“…A large number of investigations have been performed recently in order to study structural, electronic, polarization characteristics and vibrational spectra of benzophenone derivatives [2][3][4][18][19]. Vibrational modes of benzophenone/substituted benzophenones have also been discussed by various researchers in different phases such as vapor, liquid and crystals [20][21][22][23]. Several spectroscopic, polarization absorption properties and UV electronic transition studies of halogen and methyl substituted benzophenone have been reported in the literature [24][25][26][27][28] from time to time.…”

Section: Introductionmentioning

confidence: 99%

Theoretical investigation of electronic, vibrational, and nonlinear optical properties of 4-fluoro-4-hydroxybenzophenone

Patoulias

Deb

Alsenoy

et al. 2017

Spectroscopy Letters

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The present study emphasizes on structural, opto-electronic, vibrational and non-linear properties, at electronic structure level, on 4-fluoro-4-hydoxybenzophenone molecule using the first principle calculation. Detailed vibrational assignments of the wavenumbers are carried out on the basis of potential energy distribution and a good agreement between the reported and calculated wavenumber has been observed. Further, molecular electrostatic potential surface predicts the reactive site of the molecule. From the time dependent density functional theory analysis on UV-visible spectra, a red shift has been observed on maximum absorption wavelength when gaseous medium is replaced by solvent medium. The nonlinear optical property of the 4-fluoro-4-hydroxybenzophenone molecule shows that this molecule possesses large nonlinear optical properties which might make it useful for various nonlinear optical applications.

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“…30,50,51 While most Raman active modes of benzophenone exhibit no dependence on solvent structure, there are two features which are an exception to this rule. These modes comprise the carbonyl stretch, denoted ν(C=O), which is found over a relatively broad region around 1662.8 ± 7.2 cm −1 and the aromatic stretching modes ν i (C-H) in the vicinity of ∼3066 cm −1 (Fig.…”

Section: A Solvatochromic Shiftsmentioning

confidence: 90%

Solvatochromism and the solvation structure of benzophenone

Elenewski

Hackett

2013

The Journal of Chemical Physics

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Many complex molecular phenomena, including macromolecular association, protein folding, and chemical reactivity, are determined by the nuances of their electrostatic landscapes. The measurement of such electrostatic effects is nonetheless difficult, and is typically accomplished by exploiting a spectroscopic probe within the system of interest, such as through the vibrational Stark effect. Raman spectroscopy and solvatochromism afford an alternative to this method, circumventing the limitations of infrared spectroscopy, providing a lower detection limit, and permitting measurement in a native chemical environment. To explore this possibility, the solvatochromism of the C=O and aromatic C-H stretching modes of benzophenone are investigated using Raman spectroscopy. In conjunction with density functional theory calculations, these observations are sufficient to determine the probe electrostatic environment as well as contributions from halogen and hydrogen bonding. Further analysis using a detailed Kubo-Anderson lineshape model permits the detailed assignment of distinct hydrogen bonding configurations for water in the benzophenone solvation shell. These observations reinforce the use of benzophenone as an effective electrostatic probe for complex chemical systems.

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The vibrational spectrum of the benzophenone molecule

Abstract: The vibrational spectrum of the benzophenone molecule has been studied using Raman spectroscopic techniques. The assignment of the observed bands has been supported by a normal mode calculation. Special attention has been paid to the interpretation of the low-frequency modes.

Cited by 21 publications

References 16 publications

DFT calculation and Raman excitation profile studies of benzophenone molecule

DFT calculation and Raman excitation profile studies of benzophenone molecule

Theoretical investigation of electronic, vibrational, and nonlinear optical properties of 4-fluoro-4-hydroxybenzophenone

Solvatochromism and the solvation structure of benzophenone

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