Library

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
    Electrostatic control of regioselectivity in competing bimolecular eliminations (1983)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 105 (1983), S. 4115-4116 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00350a073
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Reaction rate constant of HO2+O3 measured by detecting HO2 from photofragment fluorescence (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 5027-5034 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The rate constant for the reaction HO2+O3→OH+2O2 was investigated in a discharge–flow system at room temperature. HO2 was produced from the reaction sequence Cl+CH3OH→CH2OH+HCl and CH2OH+O2→HO2+CH2O. HO2 was detected by the OH(A–X) fluorescence produced from photodissociative excitation of HO2 at 147 nm. A computer modeling of the reaction kinetics occurring in the flow tube was carried out to confirm that contributions from secondary reactions were negligible at low HO2 concentrations. The rate constant was determined from first order decay of HO2 in excess O3. The measured reaction rate constant of HO2+O3 is (1.9±0.3)×10−15 cm3 molecule−1 s−1, which agrees well with published data.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.451692
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    The Dipole Moment of Trifluoronitrosomethane1 (1964)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 68 (1964), S. 2383-2384 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100790a515
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    Electronic Resource
    Electronic Resource
    Theoretical and experimental structures of vinyl fluoride and vinyl alcohol (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 6113-6120 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A new theoretical r0 structure for vinyl fluoride has been derived using ab initio molecular orbital procedures. In addition, new experimental r0 and rs structures have been obtained through a reanalysis of existing experimental microwave data. Significant discrepancies are found between the new theoretical (125.4°) and experimental (127.6°) r0 estimates of the CCHu angle involving the hydrogen atom geminal to the substituted center. This is attributed to the relative insensitivity of the experimental structural fits to the precise value of this bond angle, an insensitivity that is associated with the proximity of the relevant atoms to inertial axes. Because of these difficulties, the best estimate of the experimental r0 structure for vinyl fluoride is obtained by taking the theoretical r0 value for the CCHu angle and determining the remaining parameters by a weighted-least-squares fit to the experimental data. Weighted-least-squares fits are found generally to provide more consistency in the derived structural parameters than unweighted procedures. It is found that fitting of isotopic differences in rotational constants (as opposed to the conventional fitting of rotational constants themselves) provides the structure for vinyl fluoride most similar to the theoretical r0 structure. Similar observations are found to hold for vinyl alcohol, for which new theoretical and experimental results are presented.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.463721
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 5
    Electronic Resource
    Electronic Resource
    Theoretical and experimental structures of vinyl chloride and vinyl bromide (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 3952-3959 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The structures of vinyl chloride and vinyl bromide have been determined by ab initio molecular orbital calculations, and corrections applied to obtain theoretical r0 values. The theoretical r0 structures agree very well with experimental r0 structures derived from recent microwave spectral data. This contrasts with the situation for vinyl alcohol and vinyl fluoride for which significant discrepancies have been found between theoretical and experimental estimates of the CCHu angles involving the hydrogen atom geminal to the substituted center. The present results reinforce our earlier conclusion that the theoretical values for this parameter for vinyl alcohol and vinyl fluoride are more reliable than the experimental values. Difficulties in the experimental structural determinations for vinyl fluoride and vinyl alcohol are attributed to the unusual insensitivity of the experimental moments of inertia to the values of the CCHu angles, resulting in turn from the close proximity to a principal inertial axis of two of the atoms that define the CCHu angles in these molecules. In contrast, all three atoms defining the CCHu angles in vinyl chloride and vinyl bromide are far removed from the inertial axes. As a consequence, the experimental moments of inertia are sensitively dependent on the value of the CCHu angle, and theoretical and experimental structures agree well. We conclude that suggestions that substituted ethenes present unusual difficulties for ab initio structural determinations are unfounded. Sensitivity curves are suggested as valuable indicators of potential problems in experimental structural determinations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.464022
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 6
    Electronic Resource
    Electronic Resource
    Ab Initio Studies on Disubstituted closo-Icosahedral Heteroboranes, X2B10H10 [X = CH, SiH, N, P, and Sb] (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 1147-1150 
    Details
    ISSN: 0009-2940
    Keywords: Icosahedral heteroboranes ; Ab initio calculation ; Bonding models ; Aromaticity ; Nucleus Independent Chemical Shift [NICS] ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ab initio theoretical studies on X2B10H10 (X = CH, SiH, N, P and Sb) have been done for all the three possible isomers. Unlike lower-vertex heteroboranes, all the hetero derivatives have shown similar trends in the relative stabilities, the 1,12-isomer being more stable followed by 1,7- and 1,2-isomers, except for N and Sb. No conventional 1,2-isomer for N could be found. Instead, a new nido isomer which is 18.1 kcal/mol higher in energy than the most stable isomer has been located. Any hetero group substitution to icosahedral R12H122- is found to be thermodynamically destabilizing. However, the Nucleus Independent Chemical Shift criterion shows that all compounds, except for 8, have similar aromaticity.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19971300818
    Library Location Call Number Volume/Issue/Year 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...