Polarized Raman and IR spectra of lattice vibrations in the non‐centrosymmetric <i>m</i>‐aminophenol crystal

Giermańska, Joanna; Szóstak, Mariusz; Girard, Alain; Sanquer, M.

doi:10.1002/jrs.1250180807

Cited by 8 publications

(3 citation statements)

References 24 publications

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“…However, there has been a limited number of papers dealing with LO-TO splitting in molecular crystals. So far this property has been observed in several systems: 3-nitroaniline, [8] 3-aminophenol, [32] trioxane, [33] 3-chloronitrobenzene, [53] and others. [34 -36] The splitting in the case of 1,3-dinitrobenzene crystal is at most equal to 10 cm −1 and is mostly pronounced within nitro groups vibrations.…”

Section: Lo-to Splittingmentioning

confidence: 99%

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The revision of intermolecular interactions in 1,3‐dinitrobenzene crystal—the role of nitro groups in optical nonlinearity

Trzebiatowska

Piela

Misiaszek

et al. 2010

J Raman Spectroscopy

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Polarized Fourier transform-infrared (FT-IR) reflectance spectra and powder Raman spectra have been measured for 1,3-dinitrobenzene crystal in order to revise the assignments of bands by means of the oriented gas model reinforced with quantum chemical [density functional theory (DFT)] calculations. Longitudinal optical/transverse optical (LO-TO) splitting of some bands is observed indicating medium strong, long-range, dipole-dipole interactions. The analysis of overtones in the polarized FT-NIR spectra has allowed us to estimate the anharmonicity of vibrations in the crystal. The molecular motions of the nitro groups are analyzed on the basis of temperature-dependent polycrystalline IR spectra. Based on the values of the energy difference ( ν el ) between the forbidden A 1g →B 2u transition in the benzene molecule in the gas phase and the first electronic transition in 1,3-dinitrobenzene, it has been concluded that the intermolecular interactions are medium strong. The nitro group interactions are proposed to play the main role in the optical nonlinearity.

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Section: Lo-to Splittingmentioning

confidence: 99%

“…However, up to now the research has been mainly focused on inorganic crystals, such as LiNbO 3 28–31. Very few works were devoted to the study of polaritons in organic materials 8, 32–36. The polar phonons are associated with dipole moment change which in turn may lead to LO‐TO splitting.…”

Section: Introductionmentioning

confidence: 99%

The revision of intermolecular interactions in 1,3‐dinitrobenzene crystal—the role of nitro groups in optical nonlinearity

Trzebiatowska

Piela

Misiaszek

et al. 2010

J Raman Spectroscopy

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“…In addition to the distinct IE value of each rotamer, the obtained spectra may be used as fingerprints for identifying the specific rotamer of molecular ions. Raman spectroscopy are available in the literature [4,[11][12][13][14]. The S 1 S 0 electronic transition of this species has been studied by excitation LIF spectroscopy [4].…”

Section: Introductionmentioning

confidence: 99%

Rotamers of m-aminophenol cation studied by mass analyzed threshold ionization spectroscopy and theoretical calculations

Xie

Tzeng

2004

Chemical Physics Letters

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Intra‐ and inter‐molecular interactions in non‐centrosymmetric and centrosymmetric phases of crystalline m‐nitrophenol as studied by polarized Raman and IR spectra. Comparison with internal vibrational spectra of m‐nitroaniline, m‐aminophenol and α‐resorcinol

Giermańska

Wójcik

Szóstak

1990

J Raman Spectroscopy

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The polarized Raman and IR spectra of m-nitrophenol (mNPh) crystals in two modifications and of mNPh and its deuterated analogue powders in a KBr pellet, wjol mull and CCI, solution have been measured in the region 2OO400 cm-'. The results are discussed and compared with earlier published data for a-resorunol, m-nitroaniline and maminophenol (mAPh). For the last compound new results, i.e. the IR spectra of the deuterated analogue, are presented, and reinterpretation of some previous assignments is proposed. The assignments of the bands in the mNPh spectra and the re-examination of the mAPb spectra were faditated by ordering the spectra of the four compounds into two classes exhibiting common features.It bas been found that tbe differences between the spectra of two phases of the mNPh crystal are small and reflect tbe difFereMles in interactions between the chains of molecules linked by hydrogen bonds. These interactions perturb particularly the NOz group vibrations which cannot be treated using the oriented gas model. On tbe basis of INDO/CI calculatioas of electronic absorption spectra vibroaic couplings in the IR and Raman spectra of the mNPh crystals have been proposed to account for many intensity enhancements.

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Polarized Raman and IR spectra of lattice vibrations in the non‐centrosymmetric m‐aminophenol crystal

Cited by 8 publications

References 24 publications

The revision of intermolecular interactions in 1,3‐dinitrobenzene crystal—the role of nitro groups in optical nonlinearity

The revision of intermolecular interactions in 1,3‐dinitrobenzene crystal—the role of nitro groups in optical nonlinearity

Rotamers of m-aminophenol cation studied by mass analyzed threshold ionization spectroscopy and theoretical calculations

Intra‐ and inter‐molecular interactions in non‐centrosymmetric and centrosymmetric phases of crystalline m‐nitrophenol as studied by polarized Raman and IR spectra. Comparison with internal vibrational spectra of m‐nitroaniline, m‐aminophenol and α‐resorcinol

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