On the effect of tether composition on cis/trans selectivity in intramolecular Diels–Alder reactions

MN Paddon??Row, AI Longshaw…

Index: Paddon-Row, Michael N.; Longshaw, Alistair I.; Willis, Anthony C.; Sherburn, Michael S. Chemistry - An Asian Journal, 2009 , vol. 4, # 1 p. 126 - 134

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Citation Number: 10

Abstract

Abstract Intramolecular Diels–Alder (IMDA) transition structures (TSs) and energies have been computed at the B3LYP/6-31+ G (d) and CBS-QB3 levels of theory for a series of 1, 3, 8-nonatrienes, H 2 C [DOUBLE BOND] CH [BOND] CH [DOUBLE BOND] CH [BOND] CH 2 [BOND] X [BOND] Z [BOND] CH [DOUBLE BOND] CH 2 [[BOND] X [BOND] Z [BOND]=[BOND] CH 2 [BOND] CH 2 [BOND](1);[BOND] O [BOND] C ([DOUBLE BOND] O)[ ...