The vibrational spectra, rotational isomerism, normal coordinate analysis and mean amplitudes of ethyl formate, ethyl chloroformate and ethyl cyanoform

Charles, S.W.; Jones, Geraint I. L.; Owen, Noel L.; Cyvín, S. J.; Cyvin, B. N.

doi:10.1016/0022-2860(73)80064-x

Cited by 45 publications

(18 citation statements)

References 34 publications

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“…Other bands observed are assigned to the methyl rocking modes at 1159 and 1117 cm –1 and to the CC stretching mode at 1016 cm –1 . These observed infrared bands are also in good agreement with those previously observed for ethyl formate in CCl 4 , further confirming that the ethyl formate is physisorbed on HOPG.…”

Section: Resultssupporting

confidence: 90%

“…The top spectrum (A) in Figure shows the RAIR spectrum of 100 L m ethyl formate adsorbed on HOPG at 30 K. At 30 K, the same bands were observed for all exposures investigated and hence the 100 L m spectrum is shown as it has a good signal-to-noise ratio. The RAIR spectrum shown in Figure A is in good agreement with that seen previously for the formation of multilayer ethyl formate on Ni(111). − The assignments for the infrared bands shown in Figure are made by comparison to the literature ,− , and are shown in Table . In the high-wavenumber region of Figure A, only one band is observed at 2995 cm –1 .…”

Section: Resultssupporting

confidence: 84%

“…and 1117 cm -1 , and to the C-C stretching mode at 1016 cm -1 . These observed infrared bands are also in good agreement with those previously observed for ethyl formate in CCl 4 53 , futher confirming that the ethyl formate is physisorbed on HOPG. Infrared experiments were also performed to investigate the thermal processing of the ethyl formate ice, following adsorption on the HOPG surface.…”

Section: Pure Ethyl Formate Adsorption On Hopgsupporting

confidence: 90%

“…The RAIR spectrum shown in Figure 5A is in good agreement with that seen previously for the formation of multilayer ethyl formate on Ni(111) [19][20][21][22] . The assignments for the infrared bands shown in Figure 5 are made by comparison to the literature 14,[19][20][21][22]53 and are shown in Table 2. In the high wavenumber region of Figure 5A, only one band is observed at 2995 cm -1 .…”

Section: Pure Ethyl Formate Adsorption On Hopgmentioning

confidence: 99%

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Thermal Processing and Interactions of Ethyl Formate in Model Astrophysical Ices Containing Water and Ethanol

Salter

Wootton

Brown

2019

ACS Earth Space Chem.

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Temperature programmed desorption (TPD) and reflection absorption infrared spectroscopy (RAIRS) have been used to investigate the interactions between ethyl formate and water and ethyl formate and ethanol in model astrophysical ices adsorbed on a graphitic model grain surface. Experiments show that the ethyl formate forms hydrogen bonds to both water and ethanol via the oxygen lone pairs. This leads to the observation of shifts in the vibrational wavenumber of the C=O and CO -C modes of ethyl formate, which can potentially be used to identify the environment of this complex organic molecule in astronomical observations. TPD data show that the interaction of ethyl formate with water is stronger than that with ethanol, with an additional species being observed in the TPD spectrum corresponding to the desorption of ethyl formate directly bonded to the water ice surface. The desorption energy of ethyl formate adsorbed on water ice was found to be 48.5 kJ mol-1 , compared to 43.2 kJ mol-1 for pure ethyl formate monolayers. Ethyl formate also traps in water ice, and undergoes volcano desorption at the water amorphous to crystalline phase transition temperature. In contrast to the water, ethanol has very little effect on the desorption of ethyl formate, with the two species behaving independently even in a co-deposited ice.

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Section: Resultssupporting

confidence: 90%

Section: Resultssupporting

confidence: 84%

Section: Pure Ethyl Formate Adsorption On Hopgsupporting

confidence: 90%

Section: Pure Ethyl Formate Adsorption On Hopgmentioning

confidence: 99%

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Thermal Processing and Interactions of Ethyl Formate in Model Astrophysical Ices Containing Water and Ethanol

Salter

Wootton

Brown

2019

ACS Earth Space Chem.

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“…Extensive research has been performed to assign C-H stretching peaks for similar ester ethyl groups in simple compounds such as ethyl formate and ethyl acetate. [31][32][33][34][35][36][37][38] Unfortunately, conflicting assignments exist in many of these publications. We adopted the assignment results from an early article, in which the authors assign the C-H stretching peaks for ester ethyl groups of ethyl acetate in infrared spectra by selectively deuterating each methylene group, methyl group, or combination of methyl and methylene groups alternatively.…”

Section: Resultsmentioning

confidence: 99%

Comparison of surface structures of poly(ethyl methacrylate) and poly(ethyl acrylate) in different chemical environments

Chen

Clarke

Wang

et al. 2005

Phys. Chem. Chem. Phys.

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Sum frequency generation (SFG) vibrational spectroscopy has been applied to investigate and compare the chemical structures of poly(ethyl methacrylate) (PEMA) and poly(ethyl acrylate) (PEA) in air, in water, and in a non-polar solvent, FC-75. SFG spectra from both polymer surfaces in air are dominated by vibrational modes from the ester ethyl side groups. The average orientation of these ester ethyl groups on the two polymer surfaces is slightly different. In water, the two polymers show markedly different restructuring behavior. The ester ethyl side chains on the PEMA surface in water reorient to tilt more toward the surface, yet remain ordered. Such a restructuring of the PEMA surface in water is reversible. However, no SFG signal was detected from the PEA/water interface, showing that the surface of PEA becomes disordered upon contacting water, and this process is irreversible. SFG results collected from the C=O range indicate that hydrogen bonding is observed for both polymer/water interfaces, but the order of C=O at the PEA/water interface is much lower than that at the PEMA/water interface. Supplemental experiments support our hypothesis that the PEA surface becomes rough and loses order gradually as it interacts with water. We have demonstrated, for the first time, that the loss of surface structural order is due to the interaction between soft PEA chains with water molecules followed by reorganization of the polymer backbone. This causes the polymer surface to become rough and disordered. However, the surface structures of PEMA and PEA in FC-75 are similar and are also similar to those in air. This indicates that not only T(g), but also the contacting medium plays an important role in determining the surface restructuring behavior of polymer materials.

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ChemInform Abstract: SCHWINGUNGSSPEKTREN, ROTATIONSISOMERIE, NORMALKOORDINATENANALYSE UND MITTLERE AMPLITUDEN VON AETHYLFORMIAT, AETHYLCHLORFORMIAT UND AETHYLCYANFORMIAT

Charles¹,

Jones²,

Owen³

et al. 1973

Chemischer Informationsdienst

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The vibrational spectra, rotational isomerism, normal coordinate analysis and mean amplitudes of ethyl formate, ethyl chloroformate and ethyl cyanoform

Cited by 45 publications

References 34 publications

Thermal Processing and Interactions of Ethyl Formate in Model Astrophysical Ices Containing Water and Ethanol

Thermal Processing and Interactions of Ethyl Formate in Model Astrophysical Ices Containing Water and Ethanol

Comparison of surface structures of poly(ethyl methacrylate) and poly(ethyl acrylate) in different chemical environments

ChemInform Abstract: SCHWINGUNGSSPEKTREN, ROTATIONSISOMERIE, NORMALKOORDINATENANALYSE UND MITTLERE AMPLITUDEN VON AETHYLFORMIAT, AETHYLCHLORFORMIAT UND AETHYLCYANFORMIAT

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