- Conference date: 24–28 February 2008
- Location: Thiruvananthapuram, Kerala (India)
The amino and phenyl units frequently constitute functional structural fragments in a variety of chemically and biologically interesting systems. Various pharmacologically active substances include methyl and amino groups as important constituents. The normal coordinate analysis of chloromethylanilines was carried out using a recently developed intra molecular force fields for chloromethylphenols and dimethylanilines. The potential energy surface function for three isomers of chloromethylanilines were obtained in terms of 24 principal force constants and 37 intramolecular force constants. It was observed that a single force field is able to simulate the observed normal vibrations in all the three molecules studied presently. The vibrational assignments are supported by HF and DFT calculations.
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