Spectres d'ABSORPTION Infrarouges Des Urées Substituées

Boivin, Jean; Boivin, Paul A.

doi:10.1139/v54-073

Cited by 14 publications

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“…B. Vibrational Analysis of Crystalline DMU . The infrared spectrum of DMU has been described for the first time in 1954 …”

Section: The Vibrational Spectrum Of Dmumentioning

confidence: 99%

“…The infrared spectrum of DMU has been described for the first time in 1954. 14 In this study Boivin tried to deduct the characteristic vibrational bands of the CH 3 NHCONH group by comparing a series of urea derivatives of the type RNHCONHCH 3 (R ) alkyl, aryl). In 1956, Becher 15 deducted a coupling between the ν as C-N and the δ as N-H vibrations by comparing the infrared spectra of normal and deuterated DMU.…”

Section: The Vibrational Spectrum Of Dmumentioning

confidence: 99%

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Solids Modeled by ab Initio Crystal Field Methods. 21. Study of the Structure and Vibrational Spectrum of N,N‘-Dimethylurea in the Gas Phase and in Its Cc Crystal Phase

Keuleers¹,

Desseyn²,

Rousseau³

et al. 2000

J. Phys. Chem. A

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In this study, the geometrical structure and vibrational spectrum are studied for the N,N‘-dimethylurea molecule [CO(NHCH3)2] (DMU) in the gas phase as well as in its Cc crystal phase. The vibrational spectrum of DMU was interpreted by measuring the solid state state infrared spectra of normal, partially and totally deuterated DMU at room temperature and at −196 °C, and the Raman spectra of the solid state at room temperature and at −120 °C, and of DMU−water and DMU−chloroform solutions. Using calculations at the RHF/6-31++G** level, the equilibrium geometry and harmonic force field for both the gas phase and the crystal phase are determined. The crystal phase is modeled using a 15 molecule cluster surrounded by 6048 point charges.

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“…B. Vibrational Analysis of Crystalline DMU . The infrared spectrum of DMU has been described for the first time in 1954 …”

Section: The Vibrational Spectrum Of Dmumentioning

confidence: 99%

Section: The Vibrational Spectrum Of Dmumentioning

confidence: 99%

Solids Modeled by ab Initio Crystal Field Methods. 21. Study of the Structure and Vibrational Spectrum of N,N‘-Dimethylurea in the Gas Phase and in Its Cc Crystal Phase

Keuleers¹,

Desseyn²,

Rousseau³

et al. 2000

J. Phys. Chem. A

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“…dibutylureas. Though a number of the papers26•[29][30][31][32][33] concerned with the spectra of urea derivatives have been presented, it is not possible to interpret fully the intricacies of the results and there are different opinions for the assignment of amide band II.26•30 However, all urea derivatives have the amide band I arising from the CO group and those which possess at least one hydrogen atom at the nitrogen atom of the urea linkage have the amide band II arising from the NH deformation. Boivin and his co-worker have measured the infrared spectra of the types of CH3NHCONHR, and concluded that these compounds had an amide band I in 1620-1660 cm.-1 and an amide band II in 1580-1630 cm.,-1 respectively.…”

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confidence: 99%