Localized molecular orbital studies of complexes formed between methyl derivatives of ethylene with hydrogen fluoride and fluorine

Semiempirical molecular orbital studies

Semiempirical molecular orbital studies of complexes formed between hydrogen fluoride and fluorine with methyl derivatives of ethylene

✍ Z. Latajka; M. Jarosz; M. Wierzejewska-Hnat; H. Ratajczak; Ya.M. Kimel'fel'd 📂 Article 📅 1978 🏛 Elsevier Science ⚖ 524 KB

Properties of molecular complexes formed between methyl derc-Tatives of ethylene with HF and F2, respectively, have been evaluated by the CND0/2 and INDO methods. In the methyl derivatives of ethylene-HF hydrogen-bonded complexes both the calculated complex formation energy and the enhancement of d