Modern methods in the theory of many-phonon processes

Perlin, Yu. E.

doi:10.3367/ufnr.0080.196308b.0553

Cited by 200 publications

(66 citation statements)

References 4 publications

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“…If any one of the first two assumptions was wrong, one would observe non-linear dependence of M 2 on temperature: the higher is the temperature, the stronger is non-linearity [23,31,32]. The experimental data show the totally different temperature dependence: M 2 depends linearly on T at temperatures T > T c (strongly supporting use of these approximations), whereas at lower temperatures it is constant.…”

Section: Discussionmentioning

confidence: 84%

“…1. Analysis of bandshape (4) showed [23,31,32] that upon heating the shape of the band becomes more symmetric and if the temperature is high enough the bandshape becomes Gaussian.…”

Section: Discussionmentioning

confidence: 99%

“…Using Condon approximation [23,32], neglecting dispersion of the frequencies of the HS subsystem and summing over all the 0, n → 1, n transitions one obtains [23,31,32] …”

Section: Shape Of the Co Bandmentioning

confidence: 99%

“…Since the CO subsystem is much faster than the HS subsystem, the adiabatic approximation [23,31,32] can be used to find the eigenvalues and eigenfunctions of H (1)…”

Section: Interaction Of the Co Vibration And The Heme Surroundingmentioning

confidence: 99%

“…The natural broadening of the excited vibrational state of the CO subsystem can be taken into account [31,32] by substituting δ function in (4) for Lorentzians centered at…”

Section: Shape Of the Co Bandmentioning

confidence: 99%

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Shape of the carbon monoxide infrared absorption band of carboxyheme proteins as a probe of the protein anharmonicity

Stavrov

2010

Spectroscopy

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Abstract. Theory of the CO infrared absorption band of carbonmonoxyheme proteins is developed using results of the theory of optical absorption bandshape of impurity center in crystal. It is shown that the bandshape is controlled by electrostatic interaction to the polar or/and charged heme surrounding. Analysis of the CO bands of different heme proteins brings us to conclusion, that the CO band is broadened by very slow (τ > 10 ps) motions of the heme surrounding and this motion most probably corresponds to the slow collective motion of the protein molecule. Therefore the second moment of the band must depend linearly on temperature at T > 25 K if the heme surrounding moves harmonically. The motion of the protein formed surrounding of the heme is arrested by the glassy protein environment. It is shown that Gaussian is the only possible symmetric shape of the CO band, if the heme surrounding moves harmonically. Deviation from this bandshape is a manifestation of anharmonic character of the surrounding motion. In general, CO infrared absorption band is shown to be an excellent probe of the dynamics of the heme surrounding.

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Section: Discussionmentioning

confidence: 84%

“…1. Analysis of bandshape (4) showed [23,31,32] that upon heating the shape of the band becomes more symmetric and if the temperature is high enough the bandshape becomes Gaussian.…”

Section: Discussionmentioning

confidence: 99%

“…Using Condon approximation [23,32], neglecting dispersion of the frequencies of the HS subsystem and summing over all the 0, n → 1, n transitions one obtains [23,31,32] …”

Section: Shape Of the Co Bandmentioning

confidence: 99%

“…Since the CO subsystem is much faster than the HS subsystem, the adiabatic approximation [23,31,32] can be used to find the eigenvalues and eigenfunctions of H (1)…”

Section: Interaction Of the Co Vibration And The Heme Surroundingmentioning

confidence: 99%

“…The natural broadening of the excited vibrational state of the CO subsystem can be taken into account [31,32] by substituting δ function in (4) for Lorentzians centered at…”

Section: Shape Of the Co Bandmentioning

confidence: 99%

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