Phonon-Sideband Structures in Absorption and Emission Spectra of Organic Molecule Oligomers (<i>N</i>=2–6)

Nagasaka, Shin–ichiro; Miyakawa, Miki; Usugi, Tatsunori; Takahashi, Yoshio

doi:10.1143/jpsj.74.1737

Cited by 1 publication

(1 citation statement)

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“…We assume that the reflectivity of smooth dust is approximately equal to the emissivity of dust, because the vibrational frequency of electrons around dust atoms does not match the frequency of light waves. When an atom or molecule in an excited state transition back to the ground or lower excited state, the energy is emitted in the form of new light waves radiation, forming an emission phenomenon (Nagasaka et al 2005;Yin et al 2006;Orszagh et al 2022;Takahashi et al 2022). The reflectivity of dust is close to 1.…”

Section: Models and Methodsmentioning

confidence: 99%

Radiation Spectral Analysis of 3D Dust Molecular Clusters (PAHs) and Peptoids under Ionization and Electric Field in ISM

Wu,

Zhu,

Lü

et al. 2023

Res. Astron. Astrophys.

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The polycyclic aromatic hydrocarbons (PAHs), PANHs, and peptoids dustspectral calculations from the interstellar medium (ISM) is important for dust obser vations and theory. Our goal is to calculate the radiation spectrum of spherical PAHsdust clusters in a vacuum containing ionized and applied in the presence of electricfield. And we propose a new simple computational model to calculate the size of three dimensional (3D) spherical dust clusters formed by different initial dust structures. By Vienna Ab−initio Simulation Package (VASP) code, the density functional theory (DFT) with the generalized approximation (GGA) was used to calculate the electron density gradient and obtain the radiation spectrum of dust. When the radius of spherical dust clusters is ∼ [0.009−0.042] µm, the dust radiation spectrum agrees well with the Z=0.02mMMP stellar spectrums, and the PAHs radiation spectrum of NGC 4676 at wavelengths of (0-5] µm and (5-10] µm, respectively. In the ionized state, the N-PAH, C10H9N, 2(C4H4)1+, and peptoids 4(CHON), (C8H10N2O5)1+ dust clusters at 3.3 µm, while the 2(C22H21N3O2)1+, 4(CHON) dust clusters at 5.2 µm have obvious peaks. There is a characteristic of part of PAHs and peptoids clusters radiation at the near-infrared wavelength of 2 µm. However, especially after applying an electric field to the dust, the emission spectrum of the dust increase significantly in the radiation wavelength range [3-10]µm. Consequently, the dust clusters of PAHs, PANHs, and peptoids of the radius size ∼[0.009−0.042] µm are likely to exist in the ISM.

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Section: Models and Methodsmentioning

confidence: 99%