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  • 1
    Electronic Resource
    Electronic Resource
    On the primary process in the plasma-chemical and photochemical vapor deposition from silane. Mechanism of the radiative species SiH*(A 2Δ) formation (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 2808-2813 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Ab initio molecular orbital–configuration-interaction (CI) calculations at full valence CI level as well as at the SDTQ-CI level on valence and Rydberg MOs were carried out on the potential energy hypersurfaces in the lower singlet states along one probable reaction path of the decomposition from SiH4 to 2SiH+2H+1H2. The result shows that there exists a one-step decomposition route which forms the radiative species SiH*(A 2Δ) from SiH4 spontaneously. The adiabatic potential energy hypersurfaces following the reaction path explain straightforwardly various observations in the plasma- and photo-CVD experiments of SiH4. The generation routes of SiH in other lower excited states were also clarified.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.451038
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  • 2
    Electronic Resource
    Electronic Resource
    On the primary process in the plasma-chemical and photochemical vapor deposition from silane. III. Mechanism of the radiative species Si*(1P 0) formation (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 6822-6829 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The mechanism of the radiative species Si*(1P0) formation from SiH4 was investigated with ab initio molecular orbital–configuration interaction calculations on two reaction routes: (a) the simplest one-step reaction mechanism SiH4→Si+2H2 and (b) the second simplest two-step reaction mechanism SiH4→SiH2+H2→Si+2H2. The conclusions obtained are as follows: (i) the one-step mechanism (a) operates effectively in the generation of the radiative species Si*(1P0), (ii) no effective path was found for the formation of Si*(1P0) in the two-step mechanism, (iii) the radiative species Si*(1P0) originates from the fifth lowest excited singlet state 11T1 of SiH4 at the Td structure in the one-step mechanism (a), whereas the nonradiative species Si(1D) is produced spontaneously from the fourth lowest excited singlet state 11E in both reaction mechanisms of (a) and (b), (iv) the nonradiative species SiH2(11B1) is spontaneously generated from the lowest excited singlet state 11T2 of SiH4, (v) the electronic state of the radiative Si*(1P0) has Rydberg character and the emission of Si*(1P0) at 288.2 nm is approximately expressed by 3p4s(1P0)→3p2(1D) where 4s is a Rydberg atomic orbital (AO). It was also concluded that the contributions of 3d AOs are important for making a description of the quantitative energy separations among the lower lying singlet states, 1D, 1S, and 1P0 of Si atoms.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457657
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  • 3
    Electronic Resource
    Electronic Resource
    Prefulvene as a stable intermediate at the potential energy surface minimum of the benzene .dblharw. benzvalene isomerization process (1984)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 106 (1984), S. 6751-6755 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00334a047
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  • 4
    Electronic Resource
    Electronic Resource
    Origin of the temperature-dependent product variation in carbene reaction with alcohol (1985)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 107 (1985), S. 1940-1946 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00293a024
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  • 5
    Electronic Resource
    Electronic Resource
    Epitaxial growth mechanism of diamond crystal in methane-hydrogen plasma (1986)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 108 (1986), S. 5780-5783 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00279a019
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  • 6
    Electronic Resource
    Electronic Resource
    An ab initio theoretical research on perfluorochemicals as oxygen carriers (1984)
    Springer
    Theoretical chemistry accounts 64 (1984), S. 403-413 
    Details
    ISSN: 1432-2234
    Keywords: Molecular interaction ; Basis set dependence of the stabilization energy ; Basis set superposition error ; Intermolecular force
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract In order to elucidate the nature of the interaction force effected in perfluorochemical artificial blood, the basis set dependence of the stabilization energy between a model perfluorochemical and oxygen was investigated in detail. The basis set superposition error was removed in each case. The interaction was estimated to arise from dispersion forces.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00548950
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  • 7
    Electronic Resource
    Electronic Resource
    Acid-catalyzed degradation mechanism of poly(phthalaldehyde): Unzipping reaction of chemical amplification resist (1997)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 35 (1997), S. 77-89 
    Details
    ISSN: 0887-624X
    Keywords: poly(phthalaldehyde) ; degradation mechanism ; molecular orbital theory ; activation energy of degradation ; acid catalyzed degradation ; unzipping reaction ; resist ; chemical amplification ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The acid-catalyzed degradation mechanism of chemical amplification resists based on end-capped poly(phthalaldehyde) has been elucidated by semi-empirical molecular orbital calculations. It is concluded that: (i) two different starting points exist in the degradation of end-capped poly(phthalaldehyde), the central part of the polymer as well as the polymer end; (ii) in both cases, after the first protonation, cationic hydroxyl compounds generated decompose to the identical cation intermediate, which can unzip itself to phthalaldehyde monomers successively (unzipping reaction); (iii) the hemiacetal type intermediates hardly degrade to the same intermediate without acid catalyst; (iv) the overall activation energy for the degradation reaction is less than 14 kcal/mol in all the cases. Thus, the poly(phthalaldehyde) resist can easily self-develop below 100°C, as reported in the literature. © 1997 John Wiley & Sons, Inc.
    Additional Material: 16 Ill.
    Type of Medium: Electronic Resource
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    Paper (German National Licenses)
  • 8
    Electronic Resource
    Electronic Resource
    Theoretical considerations on the sensitivities of electron beam resists (1977)
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 17 (1977), S. 390-395 
    Details
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: A theoretical study has been carried out in order to explain the sensitivities of electron beam and X-ray resists. A preliminary investigation reveals that the behavior of these resists, on irradiation by high energy radiation, may be considered to be the electronically-excited species in the polymer. To elucidate the chemical reactions in the excited states the adiabatic potential curves are calculated by the INDO/S procedure, which considers all the valence electrons and all the singly excited electronic configurations. Polyethylene and polyisobutylene were chosen as representative of crosslinkable and degradable polymers, respectively, since there is a parallelism between the beam sensitivity of resists and the effects of high energy radiation on polymers. Polyisobutylene has many antibonding curves favorable for the main chain scission in the excited states and polyethylene does not except for one improbable state. It was concluded that degradability is explainable by the ease of bond fission in the excited states; the crosslinkability is considered to be nondegradable property.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pen.760170612
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  • 9
    Electronic Resource
    Electronic Resource
    Plasma developable photoresist containing electronic excitation energy quenching system (1983)
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 23 (1983), S. 993-999 
    Details
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: A dry developable negative working resist composition comprised of poly(methyl isopropenyl ketone) (PMIPK) and 4-methyl-2,6-di(4′-azido-benzylidene) cyclohexanone-1 was examined. The main photochemical product formed in the resist pattern was found to be a secondary amine which crosslinks PMIPK. Post-annealing forms a hydrogen-bonded product which shows a powerful electronic excitation energy quenching effect. The quencher is more powerful than the aromatic compound arising from the azide by post-annealing only. The residual resist thickness of the negative pattern is about 80 percent of the initial thickness of the coating in spite of all the azide compound remaining in the resist coating. The obtained dry developed resist pattern has a high dry etch resistance. Etchings of Si and SiO2 were performed by plasma and reactive ion etching, respectively.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pen.760231804
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  • 10
    Electronic Resource
    Electronic Resource
    Dry developable resist in e-beam and sr lithography (1986)
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 26 (1986), S. 1148-1152 
    Details
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Dry developable resists comprised of poly(methyl isopropenyl ketone) (PMIPK) and 4-methyl-2,6-dI-(4′-azldoben-zylidene)-cyclohexanone-1 gave excellent results in SK lithography, i. e., high aspect ratio resist patterns with vertical walls were easily obtained by maskless dry etching in the single layer resist process. Because of the simplicity of single layer resist processing and the high etch rate in maskless dry etching for the formation of thick resist patterns, the dry developable resist in SR lithography may be advantageous to the multilayer resist for the purpose of generating high resolution, thick resist patterns with vertical walls. The resolution limit of the dry developable resist which reproduces the designed dimensions was 100 nm line and 200 nm space when a conventional e-beam apparatus was used at 20 KV in the dry developable multilayer resist process.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pen.760261615
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