Vibrational spectra and force constants of N,N-dichloroacetamide and N-chloroacetamide

Devia, Jorge E.; Carter, James C.

doi:10.1016/0584-8539(73)80091-1

Cited by 10 publications

References 10 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

N‐Heteroatom‐Substituted Hydroxamic Esters

Glover

2010

Patai's Chemistry of Functional Groups

View full text Add to dashboard Cite

Introduction Unusual Characteristics of N ‐Heteroatom‐Substituted Hydroxamic Esters N ‐Alkoxy‐ N ‐Haloamides N ‐Acyloxy‐ N ‐Alkoxyamides N , N ‐Dialkoxyamides N ‐Alkoxy‐ N ‐Aminoamides N ‐Alkoxy‐ N ‐Thioalkylamides Acknowledgement

show abstract

N‐Heteroatom‐Substituted Hydroxamic Esters

Glover

2010

Patai's Chemistry of Functional Groups

View full text Add to dashboard Cite

show abstract

CN Stretching frequencies in amide systems

Randhawa

Kapoor

1981

J Comput Chem

View full text Add to dashboard Cite

The CN stretching frequencies in amides have been predicted satisfactorily by the CND0/2 method. The large variation in AE is explained on the basis of extent of resonance in amides.The CNDO/2 method of Pople and Segall is very effective in solving structural problems. Recently, this method has been used successfully to calculate vibrational band frequencies and intensities.2-7 In this article, we have examined the CN stretching frequency in some amides by the CND0/2 m e t h~d .~The method involves calculating the energy difference between the equilibrium and distorted configurations by the CNDO/2 m e t h~d .~ The vibrational frequency is obtained from the square root of the energy difference between the two configurations. The increase in potential energy AE, carried out by making one normal coordinate nonzero, is given by A E = '/2hQ2(1) The structural parameters used in the present calculations are taken from the literatures and the computer program used in the calculation of E was that given by Pople and B e~e r i d g e .~ The calculations are carried out for the standard equilibrium geometry (Q = 0) and vibrationally distorted configuration on either side of the equilibrium position. From the parabolic plot of the total energy versus Q, A E for a given value of Q is obtained. In order to have a meaningful amplitude factor, one could specify that during a u = 0 -u = 1 transition, the displacement should increase. Group vibrations where the form of the normal coordinate changes negligibly from molecule to molecule are suited for such treatment. In such cases, a single-amplitude term can be used to obtain A E and w values in a number of related molecules. In our calculations on amide systems we have set r(C-N) = *0.02 A and found that a

show abstract

Halogen‐substituted amides. VI—vibrational spectra of some fluoro‐ and iodo‐substituted acetamides

Murthy

Rao

1988

J Raman Spectroscopy

View full text Add to dashboard Cite

The Raman spectra of 2-fluoroacetamide, trifluoroacetamide and 2-iodoacetamide were recorded and their infrared spectra as mulls were measured in the range 4000-200 em-'. The Fourier transform far-infrared spectra of the same samples, in the region 500-50 cm-', were also obtained. The frequencies were assigned to various fundamental modes of the molecules on the basis of qualitative considerations.

show abstract

Vibrational spectra and force constants of N,N-dichloroacetamide and N-chloroacetamide

Cited by 10 publications

References 10 publications

N‐Heteroatom‐Substituted Hydroxamic Esters

N‐Heteroatom‐Substituted Hydroxamic Esters

CN Stretching frequencies in amide systems

Halogen‐substituted amides. VI—vibrational spectra of some fluoro‐ and iodo‐substituted acetamides

Contact Info

Product

Resources

About