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  • Analytical Chemistry and Spectroscopy  (7)
  • Host-guest chemistry  (1)
  • Meteorology and Climatology  (1)
  • 1
    ISSN: 1612-1112
    Keywords: Column liquid chromatography ; Calix[4]arenes ; Host-guest chemistry ; Separation of stereoisomers
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary A high performance liquid chromatographic procedure on 5 μm RP-18 was developed for the separation of the four possible cis-trans isomers of tetramethyl-calix[4]arenoctol, and of their octaacetates, and their octamethyl ethers.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 5 (1973), S. 119-124 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The chemical shifts of methyl protons of 51 methyl and tert-butyl substituted cyclohexanes were determined. The resonance range of axial methyls extends from δ = 0,63 to 0,98 ppm and equatorial groups from δ = 0,81 to 1,02 ppm. the chemical shifts of axial methyl groups are more greatly influenced by neighbouring groups than those of equatorial methyls. The shift effects of alkyl groups on the chemical shifts of methylprotons and ring protons were compared.
    Notes: Die chemischen Verschiebungen der Alkylprotonen von 51 methyl- und tert-butyl-substituierten Cyclohexanen wurden bestimmt. Der Resonanzbereich axialer Methyl-gruppen erstreckt sich von δ = 0,63 bis 0,98 ppm, der von äquatorialen von δ = 0,81 bis 1,02 ppm. Die chemischen Verschiebungen axialer Methylgruppen werden durch Nachbargruppen stärker beeinflusst als die der äquatorialen Methylgruppen. Die Shifteffekte von Alkylgruppen auf Methylprotonen werden mit denen auf Ringprotonen verglichen.
    Additional Material: 7 Tab.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 5 (1973), S. 179-186 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Chemical shifts and coupling constants of methyl substituted 4-cyclohexene-1,2-dicarboxylic anhydrides were determined. The NMR data demonstrate the boat conformation of the cis-anhydrides. The orientation of the cis-anhydride ring relative to the cyclohexene boat depends on the constitution and configuration of the compounds, and can be deduced from coupling constants and δ-values of the H1- and H2-protons. Methyl groups in the neighbourhood of these protons shift the resonance frequencies dependent upon molecular conformation.
    Notes: Es wurden die chemischen Verschiebungen und Kopplungskonstanten von methylsubstituierten Cyclohexen-(4)-dicarbonsäure-(1,2)-anhydriden bestimmt. Die NMR-Daten beweisen die Bootkonformation der cis-Anhydride. Die Orientierung des cis-Anhydridringes relativ zum Cyclohexenboot wird durch die Konstitution und Konfiguration der Verbindungen bestimmt und kann von den Kopplungskonstanten und den δ-Werten der H1- und H2-Protonen abgeleitet werden. Methylgruppen in Nachbarschaft zu diesen Protonen verschieben die Resonanzfrequenzen in Abhängigkeit von der konformativen Anordnung.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 11 (1978), S. 561-564 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The 13C NMR chemical shifts of some cyclohexane derivatives containing 1,3-diaxial methyl groups are assigned. The resonance signals of the methyl carbon atoms 1 and 3 in these compounds are shifted on average by 4.5 ppm to lower field (δ-effect). The ring carbon atoms 1 and 3 also show shifts to lower field, averaging 0.7 ppm (γ-effect). In open-chain hydrocarbons, analogous shift effects are observed when the investigated compounds have the geometry of the gPgM conformer of n-pentane.
    Notes: Die 13C-NMR-Spektren einer Reihe von Cyclohexanen mit 1,3-diaxialen Methylgruppen wurden bestimmt. Die Resonanzsignale der Methyl-Kohlenstoffatome 1 und 3 sind in diesen Verbindungen um durchschnittlich 4,5 ppm nach tieferem Feld verschoben (δ-Effekt). Auch die Ringkohlenstoffatome 1 und 3 zeigen Verschiebungen um durchschnittlich 0,7 ppm nach tieferem Feld (γ-Effekt). In offenkettigen Kohlenwasser-stoffen werden analoge Verschiebungseffekte beobachtet, wenn in den betreffenden Verbindungen die Geometrie des gPgM-Konformeren des n-Pentans vorkommt.
    Additional Material: 3 Tab.
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  • 5
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 16 (1981), S. 358-360 
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectrometric fragmentation of the five cis-trans isomeric 1,2,4,5-tetramethylcyclohexanes is influenced by their configuration. The thermochemically stable isomers show a higher abundance of the [M—CH3]+ ions and a lower abundance of the [M—C2H5]+ ions than the strained isomers. The [M—CH3]+/[M—C2H5]+ intensity ratio correlates with the enthalpy difference ΔHisom and with the mean number of gauche arrangements ZgI of the stereoisomers.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 478-484 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: 1H NMR chemical shifts of 18 methyl substituted cyclohexane-1,2-dicarboxylic anhydrides were determined. In compounds with asymmetric substitution vicinal coupling constants were measured. In the series of trans-anhydrides it can be deduced from the NMR data, that the 6-membered ring has a chair-like conformation. Additionally, in the series of the cis-anhydrides a twisted chair conformation is favoured for the most part.
    Notes: Die chemischen Verschiebungen der 1H-NMR-Spektren von 18 methylsubstituierten Cyclohexandicarbonsäure-(1,2)-anhydriden wurden bestimmt. Von den unsymmetrisch sub-stituierten Verbindungen wurden die vicinalen Kopplungskonstanten ermittelt. Bei den trans-Anhydriden lässtsich aus den NMR-Daten ableiten, dass der Sechsring in einer sesselähnlichen Form vorliegt. Auch bei den cis-Anhydriden sind in den meisten Fällen Konformationen mit verdrillter Sesselanordnung des Cyclohexans bevorzugt.
    Additional Material: 4 Tab.
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  • 7
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 20 (1985), S. 85-89 
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of 10 isomeric trimethylcyclohexanes and six cis-trans isomeric 1,2,3,5-tetramethylcyclohexanes are discussed. The thermochemically stable isomers show a higher abundance of the [M—CH3]+ ions and a lower abundance of the [M—C2H5]+ ions than the strained isomers. The log of the intensity ratio for loss of methyl and ethyl from the molecular ions correlates well with the strain energies and with the mean number of gauche arrangements of the stereoisomers.
    Additional Material: 3 Ill.
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  • 8
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 16 (1981), S. 542-545 
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of six cis-trans isomeric 1,2,3,4-tetramethylcyclohexanes are discussed. The intensity ratio of [M—CH3]+/[M—C2H5]+ correlates with the strain energies of the stereoisomers. Therefore, the identification of cis-trans isomers is possible by means of their mass spectra. The mass spectra of deuterium labelled compounds demonstrate favoured fragmentation of the axial methyl groups and ring opening between the cis substituted carbon atoms of the cyclohexane.
    Additional Material: 1 Ill.
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  • 9
    Publication Date: 2019-07-13
    Description: Though many global aerosols models prognose surface deposition, only a few models have been used to directly simulate the radiative effect from black carbon (BC) deposition to snow and sea ice. Here, we apply aerosol deposition fields from 25 models contributing to two phases of the Aerosol Comparisons between Observations and Models (AeroCom) project to simulate and evaluate within-snow BC concentrations and radiative effect in the Arctic. We accomplish this by driving the offline land and sea ice components of the Community Earth System Model with different deposition fields and meteorological conditions from 2004 to 2009, during which an extensive field campaign of BC measurements in Arctic snow occurred. We find that models generally underestimate BC concentrations in snow in northern Russia and Norway, while overestimating BC amounts elsewhere in the Arctic. Although simulated BC distributions in snow are poorly correlated with measurements, mean values are reasonable. The multi-model mean (range) bias in BC concentrations, sampled over the same grid cells, snow depths, and months of measurements, are 4.4 (13.2 to +10.7) ng/g for an earlier phase of AeroCom models (phase I), and +4.1 (13.0 to +21.4) ng/g for a more recent phase of AeroCom models (phase II), compared to the observational mean of 19.2 ng/g. Factors determining model BC concentrations in Arctic snow include Arctic BC emissions, transport of extra-Arctic aerosols, precipitation, deposition efficiency of aerosols within the Arctic, and meltwater removal of particles in snow. Sensitivity studies show that the model-measurement evaluation is only weakly affected by meltwater scavenging efficiency because most measurements were conducted in non-melting snow. The Arctic (60-90degN) atmospheric residence time for BC in phase II models ranges from 3.7 to 23.2 days, implying large inter-model variation in local BC deposition efficiency. Combined with the fact that most Arctic BC deposition originates from extra-Arctic emissions, these results suggest that aerosol removal processes are a leading source of variation in model performance. The multi-model mean (full range) of Arctic radiative effect from BC in snow is 0.15 (0.07-0.25) W/sq m and 0.18 (0.06-0.28) W/sq m in phase I and phase II models, respectively. After correcting for model biases relative to observed BC concentrations in different regions of the Arctic, we obtain a multi-model mean Arctic radiative effect of 0.17 W/sq m for the combined AeroCom ensembles. Finally, there is a high correlation between modeled BC concentrations sampled over the observational sites and the Arctic as a whole, indicating that the field campaign provided a reasonable sample of the Arctic.
    Keywords: Meteorology and Climatology
    Type: GSFC-E-DAA-TN17471 , Atmospheric Chemistry and Physics; 14; 5; 2399-2014
    Format: application/pdf
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