Dewar benzene from acetylene + cyclobutadiene

Density functional theory, 21, 31, 245-246 B3LYP functional, 246 Hartree-Fock-Slater exchange, 246 Kohn-Sham equations, 245 local density approximation, 246 nonlocal corrections, 246 Density matrix, 232 Determinantal wave function, 23 Dewar benzene, 290 from acetylene + cyclobutadiene, 290 interaction diagram, 297 rearrangement to benzene, 290, 296-297 DFT, see Density functional theory... 

Diels-Alder reactions (2, 95 4, 72). Preparation of derivatives of Dewar benzene from cyclobutadiene and various acetylenes was first reported by Pettit et al. Addition of ceric ammonium nitrate (CAN) to an ice-cold acetone solution of equimolar amounts of cyclobutadieneiron tricarbonyl (1) and... 

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See also in sourсe #XX -- [ ]

See also in sourсe #XX -- [ ]

See also in sourсe #XX -- [ ]

See also in sourсe #XX -- [ ]

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