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Butadiene, equilibrium bond length

By combining high-level ab initio calculations with high-resolution infrared spectroscopy, the equilibrium bond lengths in x-frans-butadiene have been determined to an unprecedented precision of 0.1 pm. The values found for the pair of n-electron delocalized double bonds and the delocalized central single bond are 133.8 and 135.4 pm, respectively. The data provide definitive structural evidence that validates the fundamental concepts of n-electron delocalization, conjugation, and bond alternation in organic chemistry. [Pg.113]

Using a program that carries out molecular mechanics, find the equilibrium conformation of trans-1,3-butadiene. Compare the bond angles and bond lengths with those obtained with AMI or PM3 semiempirical methods. [Pg.912]


See other pages where Butadiene, equilibrium bond length is mentioned: [Pg.251]    [Pg.158]    [Pg.489]    [Pg.272]    [Pg.233]    [Pg.15]    [Pg.697]   
See also in sourсe #XX -- [ Pg.113 ]




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Butadiene bond length

Equilibrium bond length

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