Relevant bibliographies by topics / Infrared spectrum. Naphthalene

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Academic literature on the topic 'Infrared spectrum. Naphthalene'

Author: Grafiati
Published: 4 June 2021
Last updated: 1 February 2022

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Journal articles on the topic "Infrared spectrum. Naphthalene"

1

Szczepanski, Jan, Dennis Roser, William Personette, Marc Eyring, Robert Pellow, and Martin Vala. "Infrared spectrum of matrix-isolated naphthalene radical cation." Journal of Physical Chemistry 96, no. 20 (October 1992): 7876–81. http://dx.doi.org/10.1021/j100199a010.

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2

Librando, Vito, Andrea Alparone, and Zelica Minniti. "Computational note on anharmonic infrared spectrum of naphthalene." Journal of Molecular Structure: THEOCHEM 847, no. 1-3 (December 2007): 23–24. http://dx.doi.org/10.1016/j.theochem.2007.08.022.

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3

Ricks, Allen M., Gary E. Douberly, and Michael A. Duncan. "THE INFRARED SPECTRUM OF PROTONATED NAPHTHALENE AND ITS RELEVANCE FOR THE UNIDENTIFIED INFRARED BANDS." Astrophysical Journal 702, no. 1 (August 10, 2009): 301–6. http://dx.doi.org/10.1088/0004-637x/702/1/301.

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4

Quitián-Lara, Heidy M., Felipe Fantuzzi, Ricardo R. Oliveira, Marco A. C. Nascimento, Wania Wolff, and Heloisa M. Boechat-Roberty. "Dissociative single and double photoionization of biphenyl (C12H10) by soft X-rays in planetary nebulae." Monthly Notices of the Royal Astronomical Society 499, no. 4 (October 15, 2020): 6066–83. http://dx.doi.org/10.1093/mnras/staa3181.

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ABSTRACT Biphenyl (C12H10), or phenylbenzene, is an important building block of polycyclic aromatic hydrocarbons (PAHs), whose infrared spectral features are present in a variety of galactic and extragalactic sources. In this work, we use synchrotron radiation coupled with time-of-flight spectrometry to study the photoionization and photodissociation processes of biphenyl upon its interaction with soft X-ray photons at energies around the inner-shell C1s resonance. These results are compared with our previous studies with benzene (C6H6) and naphthalene (C10H8), and discussed in the context of four planetary nebulae featuring PAH infrared emission: BD+30○3639, NGC 7027, NGC 5315, and NGC 40. We show that the mass spectrum of biphenyl before the C1s resonance energy is dominated by single photoionization processes leading to C6H$_{5}^+$, C6H$_{4}\, ^{+\cdot}$, and C12H$_{10}\, ^{+\cdot}$, while after the resonance dissociation following multiple photoionization processes is dominant. The release of neutral C6H6 and C6H$_{5}\, ^\cdot$ species accounts for one of the most relevant dissociation processes starting from the doubly ionized biphenyl, indicating that heterolytic charge separation of the two phenyl rings is also achieved. By using quantum chemical calculations, we show that the biphenylic structure is a high-lying isomer of the singly and doubly ionized C12H10 species, whose minimum energy geometries are related to the acenaphthene molecule, composed of a C2-bridged naphthalene. Furthermore, we estimate the lifetime of biphenyl for 275 and 310 eV in photon-dominated regions of planetary nebulae. We discuss distinct processes that may enhance its lifetime and those of other small-sized PAHs in such astrophysical environments.
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5

Pirali, O., M. Goubet, T. R. Huet, R. Georges, P. Soulard, P. Asselin, J. Courbe, P. Roy, and M. Vervloet. "The far infrared spectrum of naphthalene characterized by high resolution synchrotron FTIR spectroscopy and anharmonic DFT calculations." Physical Chemistry Chemical Physics 15, no. 25 (2013): 10141. http://dx.doi.org/10.1039/c3cp44305a.

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6

Basire, M., P. Parneix, F. Calvo, T. Pino, and Ph Bréchignac. "Temperature and Anharmonic Effects on the Infrared Absorption Spectrum from a Quantum Statistical Approach: Application to Naphthalene." Journal of Physical Chemistry A 113, no. 25 (June 25, 2009): 6947–54. http://dx.doi.org/10.1021/jp901104x.

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7

Chen, Tao. "Temperature effects on anharmonic infrared spectra of large compact polycyclic aromatic hydrocarbons." Astronomy & Astrophysics 622 (February 2019): A152. http://dx.doi.org/10.1051/0004-6361/201834518.

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Aims. Large compact polycyclic aromatic hydrocarbon molecules (PAHs) present special interest in the astrochemical community. A key issue in analyses of large PAHs is understanding the effect that temperature and anharmonicity have on different vibrational bands, and thus interpreting the infrared (IR) spectra for molecules under various conditions. Methods. Because of the huge amount of interactions/resonances in large PAHs, no anharmonic IR spectrum can be produced with static/time-independent ab initio method, especially for the molecules with D6h symmetry, e.g., coronene and circumcoronene. In this work, we performed molecular dynamics simulations to generate anharmonic IR spectra of coronene and circumcoronene. Results. The method is validated for small PAHs, i.e., naphthalene and pyrene. We find that the semiempirical method PM3 produces accurate band positions with an error <5 cm−1. Furthermore, we calculate the spectra at multiple temperatures and find a clear trend toward band shifting and broadening.
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8

Lázaro, João Carlos, Marcos Tadeu T. Pacheco, Kátia Calligaris Rodrigues, Carlos José de Lima, Leonardo Marmo Moreira, Antonio Balbin Villaverde, and Landulfo Silveira Jr. "Optimizing the Raman signal for characterizing organic samples: The effect of slit aperture and exposure time." Spectroscopy 23, no. 2 (2009): 71–80. http://dx.doi.org/10.1155/2009/764524.

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The present work is focused on the influence of the slit aperture and time exposure of the infrared light on the Charge Coupled Device (CCD) in relation to their physical effects, in order to improve the Raman spectrum characteristics. Indeed, the alterations in slit aperture and CCD time exposure affect significantly important spectral properties, such as the spectral intensity, Signal to Noise Ratio (SNR) and band width resolution of the Raman spectra. Therefore, the present proposal has the aim of to found the optimum conditions of instrumental arrangement, involving the minimum collection time and maximum signal quality in dispersive Raman spectrometers. Samples of dehydrated human teeth and naphthalene were evaluated with a Raman dispersive spectrometer employing excitation wavelength of 830 nm in several integration times and spectrometer slit apertures. The analysis of the spectral intensity, SNR and band width of selected Raman peaks allowed to infer that these properties of a dispersive Raman spectrum depend directly of the exposure time on the detector as well as spectrograph slit aperture. It is important to register that the higher SNR was obtained with higher exposure time intervals. To the samples evaluated in the present article, the band width has lower values for slit apertures of 100–150 μm, i.e., in this aperture range the spectral resolution is maximum. On the publisher-id hand, the intensity and SNR of the Raman spectra becomes optimal for slit apertures of 150–200 μm, since this aperture does not affect significantly the integrity of the Raman signal. In this way, we can to propose that in approximately 150 μm, it is possible to obtain an optimum condition, involving spectral resolution as well as SNR and spectral intensity. In any case, depending of the priorities of each spectral measurement, the instrumental conditions can be altered according with the necessities of each specific chemical analysis involving a determined sample. The present data are discussed in details in agreement with recent data from literature.
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9

Djoumessi Yonkeu, Anne Lutgarde, Miranda Mengwi Ndipingwi, Chinwe Ikpo, Kelechi Nwambaekwe, Sodiq Yussuf, Hayelom Tesfay, and Emmanuel Iwuoha. "Photoluminescence Quenching of a Novel Electroconductive Poly(propylene thiophenoimine)-co-Poly(ethylenedioxy thiophene) Star Copolymer." Polymers 12, no. 12 (December 3, 2020): 2894. http://dx.doi.org/10.3390/polym12122894.

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A generation 1 poly(propylene thiophenoimine)-co-poly(ethylenedioxy thiophene) (G1PPT-co-PEDOT) star copolymer, which exhibits a strong optical absorption over a broad range in the ultraviolet–visible (UV-Vis) region and with good electro/conductive properties, was chemically prepared for the first time. Synthesis of the star copolymer, G1PPT-co-PEDOT was confirmed by spectroscopic studies. Indeed, the disappearance of the very high intensity bands, C–H bending at α-position (687 cm−1), and C=N stretching (1620 cm−1) in the Fourier transform infrared spectroscopy (FTIR) of G1PPT-co-PEDOT, which were initially present in the spectrum of the thiolated starting material, G1PPT, confirmed copolymerization. Furthermore, a large bathochromic shift in the onset wavelength of the UV-Vis absorbance spectra from 367 nm in G1PPT to 674 nm in G1PPT-co-PEDOT further attests of successful copolymerization. The electrochemical analysis of G1PPT-co-PEDOT achieved a highest occupied molecular orbital (HOMO) energy level value of 5.3 eV, which is reminiscent of the value for an ideal electron-donor material. Photoluminescence quenching of up to 82% was observed in solution blends of the G1PPT-co-PEDOT star copolymer and N,N′-diisopropyl naphthalene diimide (NDI). This demonstrates the occurrence of photoinduced intermolecular charge transfer (PICT) from the electron-donating G1PPT-co-PEDOT to the electron accepting NDI, a good property, beneficial for optoelectronic and photovoltaic applications.
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10

Santaloci, Taylor J., and Ryan C. Fortenberry. "Electronically Excited States of Closed-Shell, Cyano-Functionalized Polycyclic Aromatic Hydrocarbon Anions." Chemistry 3, no. 1 (February 23, 2021): 296–313. http://dx.doi.org/10.3390/chemistry3010022.

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Few anions exhibit electronically excited states, and, if they do, the one or two possible excitations typically transpire beyond the visible spectrum into the near-infrared. These few, red-shifted electronic absorption features make anions tantalizing candidates as carriers of the diffuse interstellar bands (DIBs), a series of mostly unknown, astronomically ubiquitous absorption features documented for over a century. The recent interstellar detection of benzonitrile implies that cyano-functionalized polycyclic aromatic hydrocarbon (PAH) anions may be present in space. The presently reported quantum chemical work explores the electronic properties of deprotonated benzene, naphthalene, and anthracene anions functionalized with a single cyano group. Both the absorption and emission properties of the electronically excited states are explored. The findings show that the larger anions absorption and emission energies possess both valence and dipole bound excitations in the 450–900 nm range with oscillator strengths for both types of >1×10−4. The valence and dipole bound excited state transitions will produce slightly altered substructure from one another making them appear to originate with different molecules. The known interstellar presence of related molecules, the two differing natures of the excited states for each, and the wavelength range of peaks for these cyano-functionalized PAH anions are coincident with DIB properties. Finally, the methods utilized appear to be able to predict the presence of dipole-bound excited states to within a 1.0 meV window relative to the electron binding energy.
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