GLORIA

GEOMAR Library Ocean Research Information Access

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    Electronic Resource
    Electronic Resource
    The Ionization Energies of Di-n-Alkyl Diacetylenes (1977)
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 60 (1977), S. 1697-1700 
    Details
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The He(Iα) photoelectron spectra and the ionization energies of symmetrically substituted di-n-alkyl-diacetylenes R-(C≡C)2-R (with R = CH3, C2H5, n-C3H7, n-C4H9) are presented. The effect of the alkyl substitutents is that the two acetylenic ionization energies, Iv,1 and Iv,2, shift by the same amount, i.e. their difference Iv,2 - Iv,1 remains constant (2.45 ± 0.05 eV). Between 12.5 eV and 17 eV the band system in the photoelectron spectrum of R-(C≡C)2-R is superimposable with that in the spectrum of the corresponding alkane, RH, with the exception of a uniformly small shift of all the bands to higher ionization energy.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/hlca.19770600525
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    The Photoelectron Spectrum of TetrafluorobutatrienePart 1 of: ‘Some Comments on the Perfluoro Effect’.Dedicated to the memory of Heinrich Labhart (1978)
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 61 (1978), S. 46-58 
    Details
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The He(Iα) and He(IIα) spectra of tetrafluorobutatriene 3(F) have been recorded for comparison with those of butatriene 3(H). Ab initio double-zeta basis self-consistent field (SCF) and configuration interaction calculations on butatriene show that, contrary to previous assignment, no shake-up band is expected to appear in the 9-10 eV energy range of the photoelectron spectrum. Further, such SCF calculations on tetrafluorobutatriene support the use of the perfluoro effect in assigning the purely π orbital ionizations. It is argued that 3(F) is a key compound for the study of the perfluoro effect. This is supported by a qualitative comparison of its photoelectron-spectroscopic results with those of other perfluoro systems.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/hlca.19780610105
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Electronic states of di-t-butylpolyacetylene radical cations (1978)
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 61 (1978), S. 2040-2046 
    Details
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The π-ionization energies of the di-t-butylpolyacetylenes with two, three, four and five conjugated triple bonds have been determined by He (Iα) photoelectron spectroscopy. The assignment of the bands to the Π-states of the corresponding radical cations follows from simple correlations in agreement with previous experience. The influence of the t-butyl groups on the ionization energies is rationalized in terms of traditional, qualitative arguments assuming an inductive and/or hyperconjugative mechanism. However, a more careful analysis shows that the ‘The -higher-the-ionization-energy-the-higher-the-alkyl-induced-shift’ rule is not always true.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/hlca.19780610611
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    Electronic Resource
    Electronic Resource
    Photoelectron Spectra of Unsaturated Oxides. I. 1,4-Dioxin and related systems (1978)
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 61 (1978), S. 1388-1398 
    Details
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The He (Iα) photoelectron spectra of the four unsaturated oxides 3,4-dihydropyran (6), γ-pyran (7), 2, 3-dihydro-1, 4-dioxin (9) and 1, 4-dioxin (10) are reported and analysed. Band assignments are based on ab-initio calculations, using the STO-3G basis set. The proposed orbital sequences (with reference to the coordinate systems given in Table 1) are, for the top three orbitals: 6, π, nσ, nπ; 7, 3b1(π), 1a2(π), 11a1(σ); 9, 11b(π), 12a(σ), 11a(π); 10, 2b3u(π), 1b1g(π), 6ag(σ). Finally the (almost) localized π-orbitals have been computed by the Foster-Boys localization procedure.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/hlca.19780610422
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 5
    Electronic Resource
    Electronic Resource
    The Electronic Structure of Cubane (C8H8) as Revealed by Photoelectron Spectroscopy (1978)
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 61 (1978), S. 547-557 
    Details
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: High resolution He (Iα) and He (IIα) photoelectron spectra of cubane are reported. The assignments of the bands to different states of the cubane radical cation are made on the basis of ab initio STO-3G and MINDO/3 calculations, using geometries optimized within each treatment. The vibrational fine-structure observed supports the proposed assignment. An open shell MINDO/3 model for ground state cubane radical cation suggests that the Jahn-Teller distorted system fluctuates between twelve equivalent structures of C2v-symmetry. Localized molecular orbitals derived from the STO-3G model of cubane indicate that the major feature which discriminates this molecule with respect to other hydrocarbons is the large interaction matrix element between the opposed CC-σ-orbitals of each face.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/hlca.19780610202
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...