Correlation between solvent-induced vibrational frequency shifts of the CO moiety and solvent electron acceptor numbers: tetramethylurea

Margaret M. Wohar; Jasmeet K. Seehra; Paul W. Jagodzinski

doi:10.1016/0584-8539(88)80219-8

Correlation between solvent-induced vibrational frequency shifts of the CO moiety and solvent electron acceptor numbers: tetramethylurea

Margaret M. Wohar, Jasmeet K. Seehra, Paul W. Jagodzinski

Research output: Contribution to journal › Article › peer-review

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Abstract

The CO stretching frequencies in the Raman spectra of 0.10 M solutions of tetramethylurea in seventeen solvents have been recorded. These frequencies exhibit a linear relationship with the solvent electron acceptor number. Comparison of the slopes of these lines and those obtained from analyzing literature data of ν(CO) reveals a correlation with the bond polarity. A linear correlation between (ν_hexane -ν_soln)/ν_hexane and the solvent acceptor number is also shown. The slopes of these latter plots can be related to ν_hexane and it is suggested that this approach be used to explain the specific solvent-solute interaction contributions to solvent-induced vibrational frequency shifts. This method is compared with the solvato-chromic method and it is shown that solvent acidity strongly influences the observed vibrational frequency shifts for the CO moiety of tetramethylurea.

Original language	English (US)
Pages (from-to)	999-1006
Number of pages	8
Journal	Spectrochimica Acta - Part A Molecular Spectroscopy
Volume	44
Issue number	10
DOIs	https://doi.org/10.1016/0584-8539(88)80219-8
State	Published - 1988
Externally published	Yes

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General Engineering

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@article{a4fd7101f27440509beed00e138330d6,

title = "Correlation between solvent-induced vibrational frequency shifts of the CO moiety and solvent electron acceptor numbers: tetramethylurea",

abstract = "The CO stretching frequencies in the Raman spectra of 0.10 M solutions of tetramethylurea in seventeen solvents have been recorded. These frequencies exhibit a linear relationship with the solvent electron acceptor number. Comparison of the slopes of these lines and those obtained from analyzing literature data of ν(CO) reveals a correlation with the bond polarity. A linear correlation between (νhexane -νsoln)/νhexane and the solvent acceptor number is also shown. The slopes of these latter plots can be related to νhexane and it is suggested that this approach be used to explain the specific solvent-solute interaction contributions to solvent-induced vibrational frequency shifts. This method is compared with the solvato-chromic method and it is shown that solvent acidity strongly influences the observed vibrational frequency shifts for the CO moiety of tetramethylurea.",

author = "Wohar, {Margaret M.} and Seehra, {Jasmeet K.} and Jagodzinski, {Paul W.}",

note = "Funding Information: Arkno~olrdgrm~nrs Generous support of this work was provided by the Energy and W{\textquoteright}ater Research Center of West Virginia University. The authors thank Drs. E. MINTZ, R. LOVETT, H. FINKLEA and M. SEEHRA for their assistance.",

year = "1988",

doi = "10.1016/0584-8539(88)80219-8",

language = "English (US)",

volume = "44",

pages = "999--1006",

journal = "Spectrochimica Acta - Part A Molecular Spectroscopy",

issn = "0584-8539",

publisher = "Pergamon Press Ltd.",

number = "10",

}

TY - JOUR

T1 - Correlation between solvent-induced vibrational frequency shifts of the CO moiety and solvent electron acceptor numbers

T2 - tetramethylurea

AU - Wohar, Margaret M.

AU - Seehra, Jasmeet K.

AU - Jagodzinski, Paul W.

N1 - Funding Information: Arkno~olrdgrm~nrs Generous support of this work was provided by the Energy and W’ater Research Center of West Virginia University. The authors thank Drs. E. MINTZ, R. LOVETT, H. FINKLEA and M. SEEHRA for their assistance.

PY - 1988

Y1 - 1988

N2 - The CO stretching frequencies in the Raman spectra of 0.10 M solutions of tetramethylurea in seventeen solvents have been recorded. These frequencies exhibit a linear relationship with the solvent electron acceptor number. Comparison of the slopes of these lines and those obtained from analyzing literature data of ν(CO) reveals a correlation with the bond polarity. A linear correlation between (νhexane -νsoln)/νhexane and the solvent acceptor number is also shown. The slopes of these latter plots can be related to νhexane and it is suggested that this approach be used to explain the specific solvent-solute interaction contributions to solvent-induced vibrational frequency shifts. This method is compared with the solvato-chromic method and it is shown that solvent acidity strongly influences the observed vibrational frequency shifts for the CO moiety of tetramethylurea.

AB - The CO stretching frequencies in the Raman spectra of 0.10 M solutions of tetramethylurea in seventeen solvents have been recorded. These frequencies exhibit a linear relationship with the solvent electron acceptor number. Comparison of the slopes of these lines and those obtained from analyzing literature data of ν(CO) reveals a correlation with the bond polarity. A linear correlation between (νhexane -νsoln)/νhexane and the solvent acceptor number is also shown. The slopes of these latter plots can be related to νhexane and it is suggested that this approach be used to explain the specific solvent-solute interaction contributions to solvent-induced vibrational frequency shifts. This method is compared with the solvato-chromic method and it is shown that solvent acidity strongly influences the observed vibrational frequency shifts for the CO moiety of tetramethylurea.

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DO - 10.1016/0584-8539(88)80219-8

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EP - 1006

JO - Spectrochimica Acta - Part A Molecular Spectroscopy

JF - Spectrochimica Acta - Part A Molecular Spectroscopy

IS - 10

ER -

Correlation between solvent-induced vibrational frequency shifts of the CO moiety and solvent electron acceptor numbers: tetramethylurea

Abstract

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