The heat of formation of cyclobutadiene

Alireza Fattahi; Lev G Lis; Zhixin Tian; Steven R Kass

doi:10.1002/anie.200600839

The heat of formation of cyclobutadiene

Alireza Fattahi
, Lev G Lis
, Zhixin Tian
, Steven R Kass

Research output: Contribution to journal › Article › peer-review

50 Scopus citations

Abstract

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. (Figure Presented).

Original language	English (US)
Pages (from-to)	4984-4988
Number of pages	5
Journal	Angewandte Chemie - International Edition
Volume	45
Issue number	30
DOIs	https://doi.org/10.1002/anie.200600839
State	Published - Jul 24 2006

Keywords

Ab initio
Antiaromaticity
Calculations
Cyclobutadiene
Mass spectrometry
Thermodynamics

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10.1002/anie.200600839

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title = "The heat of formation of cyclobutadiene",

abstract = "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. (Figure Presented).",

keywords = "Ab initio, Antiaromaticity, Calculations, Cyclobutadiene, Mass spectrometry, Thermodynamics",

author = "Alireza Fattahi and Lis, \{Lev G\} and Zhixin Tian and Kass, \{Steven R\}",

year = "2006",

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doi = "10.1002/anie.200600839",

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journal = "Angewandte Chemie - International Edition",

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AU - Fattahi, Alireza

AU - Lis, Lev G

AU - Tian, Zhixin

AU - Kass, Steven R

PY - 2006/7/24

Y1 - 2006/7/24

N2 - 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. (Figure Presented).

AB - 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. (Figure Presented).

KW - Ab initio

KW - Antiaromaticity

KW - Calculations

KW - Cyclobutadiene

KW - Mass spectrometry

KW - Thermodynamics

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UR - https://www.scopus.com/pages/publications/33746731720#tab=citedBy

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EP - 4988

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 30

ER -

The heat of formation of cyclobutadiene

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