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  • 1
    Electronic Resource
    Electronic Resource
    Molecular Structures of Perchloric Acid and Halogen Perchlorates ClOClO3 and FOClO3 (1994)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 98 (1994), S. 8339-8342 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100085a013
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  • 2
    Electronic Resource
    Electronic Resource
    Dibromine monoxide, Br2O: The rotational spectrum and molecular properties (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 8344-8354 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The rotational spectra of 79Br2O, 79BrO81Br, and 81Br2O in their ground vibrational states as well as 79BrO81Br in its v2=1 state have been studied in selected regions between 90 and 523 GHz. Transitions involving a large range of quantum numbers, 6≤J≤123 and 0≤Ka≤12, have been observed permitting precise rotational and a large set of centrifugal distortion constants to be determined. All isotopic species as well as the excited state data were fit simultaneously. Ground-state effective and average structural parameters as well as an estimate of the equilibrium structure have been derived. The quartic distortion constants were used for a calculation of the harmonic force field. The complete quadrupole tensor has been determined. Its diagonalization reveals a largely covalent BrO bond with little π-bonding. The derived properties of Br2O are compared with those of related compounds such as Cl2O, HOBr, and HOCl. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.473920
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  • 3
    Electronic Resource
    Electronic Resource
    The rotational spectrum and molecular properties of bromine dioxide, OBrO (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 107 (1997), S. 8292-8302 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The rotational spectrum of the OBrO radical has been observed in the gas phase over the solid products of the O+Br2 reaction. Spectra have been measured for both O79BrO and O81BrO in their (000), (010), and (020) vibrational states in selected regions between 88 and 627 GHz spanning the quantum numbers 1≤N≤61 and 0≤Ka≤14. The spectra are well described by a Hamiltonian which includes centrifugal distortion effects for fine and hyperfine terms. The molecular structure, the dipole moment, and the harmonic force field have been derived, and they, as well as fine and hyperfine structure constants, are compared with data of related molecules and electron spin resonance data from OBrO isolated in cryogenic salt matrices. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.475030
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  • 4
    Electronic Resource
    Electronic Resource
    19F spin-rotation constants and shielding tensor of sulphur difluoride from its microwave spectrum (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 6916-6922 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The microwave spectrum of the unstable molecule sulphur difluoride, SF2, prepared via a pulsed electric discharge in an SF6/OCS mixture, has been measured using a pulsed jet cavity Fourier transform spectrometer. 19F hyperfine structure has been resolved, and unusually small, negative values have been determined for two of the spin-rotation coupling constants. These constants have been used to calculate the 19F principal inertial axis nuclear shielding components; the determined paramagnetic shieldings are also unusual and produce a large positive average shielding, σav. The shieldings have been compared with the corresponding constants obtained for OF2, SiF2, and GeF2. The results for SF2 are consistent with values determined from earlier NMR experiments and ab initio calculations. The origin of the unusual shieldings has been found, and is discussed, using a semi-quantitative model, in terms of the geometry and the electronic energy level structure of the molecule. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.473716
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  • 5
    Electronic Resource
    Electronic Resource
    The rotational spectrum of chloryl chloride, ClClO2, in its ground vibrational state (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 11865-11875 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Rotational spectra of the four main isotopomers of ClClO2 which together span the quantum numbers 10≤J≤77 and 0≤Ka≤34 have been studied in selected regions between 10 and 417 GHz. The in situ syntheses using reactions between FClO2 and either HCl or BCl3 are described. Rotational and centrifugal distortion constants have been derived and used for structure and harmonic force field calculations. The quadrupole coupling constants for both Cl nuclei have been determined and the molecular dipole moment has been derived from low field Stark effect measurements in the submillimeter region. The results are discussed in relationship to published results from a matrix-isolation study, from theoretical calculations, and from studies of related molecules. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.479179
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  • 6
    Electronic Resource
    Electronic Resource
    Hyperfine constants of bromine and iodine monofluoride (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 577-583 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The J′−J″=1−0 rotational transitions of 79BrF, 81BrF, and IF have been reinvestigated in the ground and first excited vibrational states using microwave Fourier transform spectroscopy. For IF, lines were also detected in the second excited vibrational state. Bromine and iodine nuclear quadrupole coupling constants, spin–rotation constants for all nuclei, and tensor and scalar spin–spin coupling constants (S and J), have been determined along with the rotational constants. Antishielding occurs at the fluorine nucleus for both BrF and IF, as has been found earlier for ClF. The antishielding has been rationalized following a model developed for ClF. The ratio 1.197 0514 (32) has been found for the equilibrium bromine quadrupole coupling constants of 79/81BrF. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.470092
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  • 7
    Electronic Resource
    Electronic Resource
    The molecular properties of chlorosyl fluoride, FClO, as determined from the ground-state rotational spectrum (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 116 (2002), S. 2407-2416 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The pure rotational spectrum of chlorosyl fluoride was studied by microwave Fourier transform spectroscopy and conventional millimeter and submillimeter absorption spectroscopy. More than 100 rotational transitions for each isotopomer were observed involving J≤73, 61 and Ka≤19, 16 for F35ClO and F37ClO, respectively. The analysis yielded precise rotational, centrifugal distortion, 35,37Cl nuclear quadrupole, and 19F and 35,37Cl nuclear spin–rotation coupling constants. The spin–rotation constants were used to derive nuclear magnetic shielding values. All nonzero elements of the Cl quadrupole tensor were obtained, permitting its diagonalization. The dipole moment was determined by Stark measurements in the millimeter region. The ground-state average structure rz and an estimate of the equilibrium structure re were calculated. The properties derived for FClO were compared with those of ClF3 and other related molecules. Structural parameters, harmonic force constants, the dipole moment, and the nuclear quadrupole coupling constants were also evaluated by means of quantum-chemical calculations. The results are in good agreement with experiment. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1433002
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  • 8
    Electronic Resource
    Electronic Resource
    Synthesis and properties of chloryl chloride, ClClO2 (1992)
    s.l. : American Chemical Society
    Inorganic chemistry 31 (1992), S. 2527-2534 
    Details
    ISSN: 1520-510X
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ic00038a040
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  • 9
    Electronic Resource
    Electronic Resource
    Vibrational and electronic spectra of chlorine dioxide, OClO, and chlorine superoxide ClOO, isolated in cryogenic matrixes (1993)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 97 (1993), S. 10589-10598 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100143a013
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  • 10
    Electronic Resource
    Electronic Resource
    An Experimental Study on the Photochemistry and Vibrational Spectroscopy of Three Isomers of Cl2O2 Isolated in Cryogenic Matrixes (1994)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 116 (1994), S. 1106-1114 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00082a038
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