The Heat of Formation of Cyclobutadiene | Zendy

Fattahi Alireza | Zendy; Lis Lev | Zendy; Tian Zhixin | Zendy; Kass Steven R. | Zendy

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The Heat of Formation of Cyclobutadiene

Author(s) -

Fattahi Alireza,

Lis Lev,

Tian Zhixin,

Kass Steven R.

Publication year - 2006

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.200600839

Subject(s) - cyclobutadiene , standard enthalpy of formation , bond dissociation energy , dissociation (chemistry) , ionization , chemistry , thermodynamics , ionization energy , gas phase , computational chemistry , physics , organic chemistry , ion , molecule

How unstable can it be? Gas‐phase measurements on the 3‐cyclobutenyl cation were combined in a thermodynamic cycle to provide the first experimental determination of the heat of formation of cyclobutadiene (see scheme, IP=ionization potential, BDE=bond‐dissociation energy). The resulting value of 428±16 kJ mol −1 is in good accord with previous predictions based upon similar energetic determinations of benzo‐ and phenylcyclobutadiene.

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