Mass spectrometry evidence for self-rigidification of π-conjugated oligomers containing 3,4-ethylenedioxythiophene groups using RRKM theory and internal energy calibration
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چکیده
منابع مشابه
Structural and Electronic Properties of Novel π-Conjugated Aniline-based Oligomers: A Computational Study
Density functional theory (DFT) and time dependent DFT (TD-DFT) calculations were carried out for the oligomers of 3, 4- Ethylenedioxythiophene –Aniline (EDOT-Ani), 3, 4-Ethylenedithiafurane- Aniline (EDTF-Ani) and Thieno [3,4-b] benzene-Aniline (PITN-Ani). Structural parameters, electrical conductivity, spectral properties and electronic properties like ionization potential (IPs), (EAs), HOMO-...
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Precise calibration of energy and efficiency of gamma spectrometry systems for different geometries is very important. In most cases, preparation of these sources for educational and research centers is very difficult due to high costs and lack of access to the reactor. The purpose of this paper is to explain the procedure for production of calibration sources 65Zn and 60Co using instrumental ...
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The intramolecular interactions responsible for the planarity observed in poly(3,4-ethylenedioxythiophene) and small 3,4-ethylenedioxythiophene-containing oligomers have been investigated using quantum mechanical methods. Specifically, the relative influence of electron-donating effects, pi-conjugation, and geometric restrictions induced by the cyclic substituent and attractive S...O intramolec...
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ژورنال
عنوان ژورنال: European Journal of Mass Spectrometry
سال: 2019
ISSN: 1469-0667,1751-6838
DOI: 10.1177/1469066718811712