UV-Photoelectron Spectroscopy of Organosilicon Compounds

Chrostowska, Anna; Darrigan, Clovis

doi:10.1016/b978-0-12-814213-4.00004-6

Cited by 3 publications

(2 citation statements)

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“…For the reliable assignment of PE bands, density functional theory [ΔSCF + TD-DFT (CAM-B3LYP)] − and ab initio [outer valence green function (OVGF), − P3 and symmetry adapted cluster/configuration interaction (SAC–CI) calculations of IEs using the 6-311G(d,p) basis set on the ground state have been carried out on optimized geometrical structures of all studied compounds. The advantages of the most frequently employed ΔSCF–density functional theory (DFT) method of calculations of the first IEs have been demonstrated previously. ,, The time-dependent (TD)-DFT approach provides a first-principal method for the calculation of excitation energies within a density functional context taking into account the low-lying ion calculated by the ΔSCF method. The vertical IEs were also calculated at the ab initio level according to OVGF (in this case, the effects of electron correlation and reorganization are included beyond the Hartree–Fock approximation and the self-energy part was expanded up to third order) and SAC–CI (symmetry adapted cluster/configuration interaction methods of Nakatsuji which describes accurately and efficiently the electronic structures of the excited, ionized, and electron-attached states of molecules) methods.…”

Section: Methodsmentioning

confidence: 99%

Spectroscopic Studies on Hydrazine–Boranes, Key Compounds for Chemical Hydrogen Storage

et al. 2019

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Hydrazine–boranes (H2NNH2·BH3 and H3B·NH2NH2·BH3) have been proposed for the storage of hydrogen, but these compounds have not created scope for extensive research works as ammonia– and methylamine–boranes have made these last decades. In the exciting research devoted to energy storage with environmentally friendly processes, hydrazine–borane, hydrazine–bisborane, and their simply substituted derivatives could provide a satisfactory response for hydrogen production and recyclability of the formed products. To date, knowledge of the physical and chemical properties of these compounds is still scarce. In this paper, the electronic structure of various hydrazine–boranes complexes is studied by ultraviolet-photoelectron spectroscopy (UV-PES), which is the experimental technique giving direct access to the energy of occupied molecular orbitals. Thus, UV-PE spectra were registered and first ionization energies were determined. Understanding of different types of interactions between nitrogen lone pairs and their variations by complexation has been our essential goal in these studies. In particular, clear stabilization of all molecular orbital energies is noted when complexation with borane takes place. Evolution of the σBN bond during the hydrogen release process upon thermal activation has also been studied experimentally by UV-PES and supported by quantum chemical calculations.

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Section: Methodsmentioning

confidence: 99%

Spectroscopic Studies on Hydrazine–Boranes, Key Compounds for Chemical Hydrogen Storage

et al. 2019

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“…However, care should be taken when using UPS for investigation of CARs, since the above-mentioned explanation about the modification of photoresists during XPS measurements holds true for the UPS measurements as well 16 .…”

Section: As a Complementary Technique To Xps For Investigation Of Pho...mentioning

confidence: 99%

Photoemission spectroscopy on photoresist materials: A protocol for analysis of radiation sensitive materials

Sajjadian,

Galleni,

Dorney

et al. 2023

Journal of Vacuum Science &Amp; Technology A

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The continued downscaling, following the so-called Moore's law, has motivated the development and use of extreme ultraviolet (EUV) lithography scanners with specialized photoresists. Since the quality and precision of the transferred circuit pattern are determined by the EUV-induced chemical changes in the photoresist, having a deep understanding of these chemical changes is of pivotal importance. For this purpose, several spectroscopic and material characterization techniques have already been employed. Among them, photoemission can be essential as it not only allows direct probing of chemical bonds in a quantitative way but also provides useful information regarding the generation and distribution of primary and secondary electrons. However, since high energy photons are being employed for characterization of a photosensitive material, modification of the sample during the measurement is possible, and this must be considered when investigating the chemical changes in the photoresist before and after exposure to EUV light. In this paper, we investigate the chemical changes occurring during the photoemission measurements of an unexposed, model chemically amplified resist based on the well-known environmentally stable chemically amplified photoresist as a function of a number of measurement parameters, using both an x ray (AlKα, 1486.6 eV) and a UV source (HeII, 40.8 eV). We will show that these chemical changes can be simulated through theoretical modeling of the photoemission spectra. Based on these results, we propose a measurement protocol allowing to minimize or eliminate this modification which will help to guide (or enable) photoemission measurements on radiation-sensitive materials (e.g., photoresists).

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Beyond chemical structures: lessons and guiding principles for the next generation of molecular databases

Sommer,

Clarke,

García-Melchor

2025

Chem. Sci.

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UV-Photoelectron Spectroscopy of Organosilicon Compounds

Cited by 3 publications

References 123 publications

Spectroscopic Studies on Hydrazine–Boranes, Key Compounds for Chemical Hydrogen Storage

Spectroscopic Studies on Hydrazine–Boranes, Key Compounds for Chemical Hydrogen Storage

Photoemission spectroscopy on photoresist materials: A protocol for analysis of radiation sensitive materials

Beyond chemical structures: lessons and guiding principles for the next generation of molecular databases

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