Structures and stabilities of C6H3β¨₯6 iso
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Wolfram Koch; Helmut Schwarz
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Article
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1985
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Elsevier Science
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English
β 279 KB
The ground-state potential energy surface of C6H63-+ was explored by ab initio molecular orbital calculations using the split valence 3-21G basis set. Various isomers were located as minima, the most stable corresponding to the fulvene tricat-.... 0 -1 3+ β’ β’ ion (1). The heat of formation of 1 Is e