1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Structure and vibrational spectra of gauche- and trans-conformers of ethanol: Nonempirical anharmonic calculations and FTIR spectra in argon matrices
Rent:
Rent this article for
USD
10.1063/1.4801995
/content/aip/journal/ltp/39/4/10.1063/1.4801995
http://aip.metastore.ingenta.com/content/aip/journal/ltp/39/4/10.1063/1.4801995

Figures

Image of FIG. 1.
FIG. 1.

The trans-conformer of the ethanol molecule with the atoms numbered.

Image of FIG. 2.
FIG. 2.

FTIR spectra of the ethanol molecule in the range 600–1500 cm−1, with experimentally recorded spectra for molecular ratios of 1:2000 (a) and 1:1000 (b). The theoretically calculated spectrum is shown as curve c.

Tables

Generic image for table
Table I.

Calculated vibrational frequencies in the harmonic and anharmonic approximations for the trans- and gauche-conformers of the ethanol molecule.

Generic image for table
Table II.

Relative energies of the ground states and barriers to internal rotation of the hydroxyl and methyl groups of trans- and gauche-conformers of the ethanol molecule.

Generic image for table
Table III.

Some structural parameters and the centrifugal tension constants of the trans- and gauche-conformers of the ethanol molecule.

Generic image for table
Table IV.

Geometric parameters of trans- (t) and gauche- (g) conformers of the ethanol molecule.

Generic image for table
Table V.

Frequencies and intensities of the experimentally observed absorption bands and scattering lines in IR and Raman scattering spectra of ethanol from the present work and published data.

Generic image for table
Table VI.

Comparison of calculated and observed vibrational frequencies of the ethanol molecule.

Loading

Article metrics loading...

/content/aip/journal/ltp/39/4/10.1063/1.4801995
2013-04-26
2014-04-23
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Structure and vibrational spectra of gauche- and trans-conformers of ethanol: Nonempirical anharmonic calculations and FTIR spectra in argon matrices
http://aip.metastore.ingenta.com/content/aip/journal/ltp/39/4/10.1063/1.4801995
10.1063/1.4801995
SEARCH_EXPAND_ITEM