SPECTROSCOPIC STUDIES: PART 4, THE PREDICTION OF CONFORMATION FROM BOND STRETCHING FREQUENCIES.
Scientific rept. no. 10,
UNIVERSITY COLL OF WALES ABERYSTWYTH EDWARD DAVIES CHEMICAL LAB
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A study on X.CH2 .CH2 .Y molecules shows that a relation exists between the CX-bond stretching frequency and the electronegativity product CHI X CHI Y when X and Y are in the trans position. This correlation is used to demonstrate that the gauche isomer is the more stable conformer for ClCH2 .CH2 CN and BrCH2.CH2 CN. Author