BOND LENGTHS AND BOND ORDERS IN π-ELECTRON HETEROCYCLES
- 1 March 1978
- journal article
- research article
- Published by Taylor & Francis in Phosphorus and Sulfur and the Related Elements
- Vol. 4 (1) , 1-7
- https://doi.org/10.1080/03086647808079955
Abstract
A comparison of bond orders calculated by different methods (Pauling, HMO, PPP, SCF-MO) with experimental bond lengths has been made for representative sets of sulfur and nitrogen π-electron heterocycles and statistical treatment of the results has been presented. Bond orders obtained by simple techniques (Pauling, HMO) are equally effective in predicting and correlating bond lengths in these heterocycles as those calculated by more sophisticated methods (PPP, SCF-MO).Keywords
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