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New theoretical results on the CO…cyclobutadiene complex

✍ Scribed by Julio C. Facelli

Book ID
107734765
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
410 KB
Volume
173
Category
Article
ISSN
0009-2614

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Are the C4v complexes of cyclobutadiene
Are the C4v complexes of cyclobutadiene with CO, NO+, and CS minima?
✍ Mikhail N. Glukhovtsev; Paul von R. Schleyer; Nicolaas J.R. van E. Hommes; Vladi 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 400 KB

While the C,, pyramidal structures of the cyclobutadiene-CO and cyclobutadiene-NO+ complexes are second-order sadd& points rather than minima, the pyramidal C,, cyclobutadiene-CS complex is a minimum due to stronger interactions of the e: orbitals of the CS fragment with the cyclobutadiene es morbit