Overtones of liquid benzene in the visible region by direct absorbance measurement

Yamamoto, Naoto; Matsuo, Nobutaka; Tsubomura, Hiroshi

doi:10.1016/0009-2614(80)80204-1

Cited by 15 publications

(1 citation statement)

References 16 publications

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“…Upon examining the vibrational spectra of several representative liquid hydrocarbons with various kinds of CH oscillators, Burberry et al suggested a “universal intensity concept”: for a given CH stretching overtone transition, a single absorption cross section per CH oscillator, regardless of type, could account for the observed spectral intensity at quantum levels v = 3, 4, 5, and 6 . However, overtone spectra of liquid cis - and trans -dichloroethylene measured by use of a photon-counting absorbance spectrophotometer , by Okada, Yamamoto, and Tsubomura showed results in contradiction to this concept . The integrated intensities of the cis isomer were greater than those of the trans isomer by a factor of 1.5−2.0.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Analysis of the CH Stretching Overtone Vibration of 1,2-Dichloroethylene

2002

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The intensity of the CH stretching overtone spectra of liquid cis-dichloroethylene is known to be greater than that of the trans isomer, even though the transition energies are almost the same. To obtain theoretical insight on this feature, we performed a vibrational calculation under the local mode model, which is preferred for describing vibration of light−heavy bonds, using the grid method and the potential energy surface (PES) and the dipole moment function (DMF) calculated by hybrid density functional theory method. It was determined that the DMF, in the direction perpendicular to the CC bond, was significantly distorted from linearity as a function of the CH bond length. This distortion, which is regarded as the electric anharmonicity, was greater for the cis isomer, thus giving a stronger overtone absorption intensity for this isomer. In addition, the numerical accuracy in representing the PES and DMF was discussed for the overtone vibrational calculation.

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Section: Introductionmentioning

confidence: 99%

Theoretical Analysis of the CH Stretching Overtone Vibration of 1,2-Dichloroethylene

2002

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Schwingungsspektroskopie im Nahen Infrarot

Salzer

1986

Zeitschrift fuer Chemie

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Vibrational spectra in the near infrared show a high selectivity for CH, NH and OH groups. Environmental influences on chemical or physical properties of these groups are indicated with particular sensitivity. For quantitative analyses there is a worldwide increase in using computer based NIR instruments. Even nontransparent or highly scattering samples are nondestructively analysed by diffuse reflectance techniques. In most advanced methods the excitation by dye lasers replaces the less effective conventional sources and monochromators. With increasing excitation energy in NIR the vibrational behaviour changes from normal modes to local modes. Local modes play a key role in understanding bond‐selective photochemical processes. The investigation of local modes will contribute both to the search for dissociation coordinates as well as to understanding those processes which direct the reactions by their sequence and their time scale.

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Quasiclassical Methods

Medvedev¹,

Ошеров²

1995

Springer Series in Chemical Physics

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Overtones of liquid benzene in the visible region by direct absorbance measurement

Cited by 15 publications

References 16 publications

Theoretical Analysis of the CH Stretching Overtone Vibration of 1,2-Dichloroethylene

Theoretical Analysis of the CH Stretching Overtone Vibration of 1,2-Dichloroethylene

Schwingungsspektroskopie im Nahen Infrarot

Quasiclassical Methods

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