Low-frequency vibrational spectrum of the 1-methyl-thymine single crystal

Kirin, D.; Colombo, L.; Furić, Krešimir; Meier, W.

doi:10.1016/0584-8539(75)80115-2

Cited by 14 publications

(9 citation statements)

References 6 publications

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“…Model The values for model A are from Kitaigorodskii et al (1969), Mirskaya and Nauchitel' (1972) and Kirin et al (1975), whereas those for model B are from Caillet and Claverie (1975).…”

Section: Atommentioning

confidence: 99%

“…The shorter range for CMH was adopted to economize on computing time, but test calculations with the interaction range increased to 8 A showed the calculated frequencies changed by <5%. Kirin et al (1975) have measured the frequencies of six Ag and five of the six Bg intermolecular modes in 1-MT by Raman scattering methods. The frequencies of the ungerade modes derived from their infrared (IR) measurements appear to be more uncertain, and there are discrepancies between these measurements and the data of Harada and Lord (1970).…”

Section: Atommentioning

confidence: 99%

“…Consequently, the assignment of the observed peaks into Ag or Bg symmetry representations is ambiguous. We have used the classification scheme proposed by the original authors (Kirin et al, 1975;Kugel et al, 1979). The ungerade frequencies given in the column headed "fitted" are calculated from the best potential parameters.…”

Section: Atommentioning

confidence: 99%

“…The ungerade frequencies given in the column headed "fitted" are calculated from the best potential parameters. The designations K and HL for observed frequencies refer to Kirin et al (1975) and Harada and Lord (1970), respectively.…”

Section: Atommentioning

confidence: 99%

“…Optical measurements of the intermolecular mode frequencies at F have been made for 1-MT by Harada and Lord (1970) and more completely by Kirin et al (1975). Harada and Lord interpreted their results in terms of two simplified force models, while Kirin et al used 11 Buckingham potentials for the nonbonded interactions and a three-parameter valence force field for the N3-H,---09 hydrogen bond.…”

Section: Introductionmentioning

confidence: 99%

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Hydrogen bonding in DNA base complexes

Powell¹,

Martel²

1981

Biophysical Journal

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Experimental intermolecular frequencies in the DNA base complexes 1-methylthymine (1-MT) and cytosine monohydrate (CMH) are analyzed in terms of simple analytic interatomic potentials. Calculations with two different values for the constants of the nonbonded interactions are considered, and the hydrogen bond potentials are determined for each of these models. The observed frequencies in 1-MT are reasonably well described, although corresponding potentials are very different in the two models. The observed frequencies in CMH are less well described, although corresponding hydrogen bond potentials are similar in the two models. Hydration interactions are found to be important in CMH and the role of the water molecule is discussed. Possible reasons for the shortcomings of this simple analysis are considered.

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“…Model The values for model A are from Kitaigorodskii et al (1969), Mirskaya and Nauchitel' (1972) and Kirin et al (1975), whereas those for model B are from Caillet and Claverie (1975).…”

Section: Atommentioning

confidence: 99%

Section: Atommentioning

confidence: 99%

Section: Atommentioning

confidence: 99%

Section: Atommentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Hydrogen bonding in DNA base complexes

Powell¹,

Martel²

1981

Biophysical Journal

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Absolute Raman intensities of lattice modes‐investigation of intermolecular interactions in molecular crystals

D'Orazio

1977

J Raman Spectroscopy

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An investigation has been carried out on the correlation between intermolecular interactions and absoluteRaman intensities of lattice modes. The analysis was performed by comparing absolute Raman intensities (measured using crystalline powders) with those calculated according to the oriented-gas approximation. For the five organic compounds investigated, it could be shown that, in geoerd, the oriented-gas model is inadequate for the description of the properties of molecular crystals. Large discrepancies in the model could be revealed for modes with both librational and translational character. The discrepancies depend strongly on the strength of the intermolecular interactions.

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Low‐frequency vibrational spectrum of p‐nitrotoluene single crystals

Abasbegović

Colombo

Postollec

1978

J Raman Spectroscopy

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The lattice vibrational spectrum of p-nitrotoluene (PNT) single crystals has been studied by Raman and IR spectroscopic techniques. Twenty-one lines have been recorded in the Raman spectrum and nine lines in the far IR spectrum. Calculations of vibrational frequencies have been performed using the rigid molecule approximation. Intermolecular interactions have been described by atom-pair intermolecular potential functions for interatomic distances up to 4.0A. An assignment of the observed to the calculated frequencies has been proposed.

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Low-frequency vibrational spectrum of the 1-methyl-thymine single crystal

Cited by 14 publications

References 6 publications

Hydrogen bonding in DNA base complexes

Hydrogen bonding in DNA base complexes

Absolute Raman intensities of lattice modes‐investigation of intermolecular interactions in molecular crystals

Low‐frequency vibrational spectrum of p‐nitrotoluene single crystals

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