The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes.

Wendy Cross; Geoffrey W. Hawkes; Romano T. Kroemer; Klaus R. Liedl; Thomas Loerting; Rima Nasser; Robin G. Pritchard; Melanie Steele; Michael Watkinson; Andrew Whiting; Geoffrey E. Hawkes

doi:10.1039/b008788m

The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes.

Wendy Cross, Geoffrey W. Hawkes, Romano T. Kroemer, Klaus R. Liedl, Thomas Loerting, Rima Nasser, Robin G. Pritchard, Melanie Steele, Michael Watkinson, Andrew Whiting, Geoffrey E. Hawkes

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

Original language	English
Journal	Journal of the Chemical Society, Perkin Transactions 2
DOIs	https://doi.org/10.1039/b008788m
Publication status	Published - 2001

Keywords

Density functional theory (B3LYP; theor. and exptl. methods. for study of structure, modeling and dynamics of hindered 5,6-diarylacenaphthenes); Activation enthalpy; Activation entropy; Enthalpy; Entropy; Free energy (atropisomerism; theor. and exptl. methods. for study of structure, modeling and dynamics of hindered 5,6-diarylacenaphthenes); AM1 MO; Activation energy; Atropisomers; Crystal structure; HF MO; Molecular modeling; Molecular structure; NMR; Overhauser effect; Rotational barrier; Transition state structure (theor. and exptl. methods. for study of structure, modeling and dynamics of hindered 5,6-diarylacenaphthenes)

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10.1039/b008788m

Cite this

@article{e962e6a7ab3b470999fe7693b840f224,

title = "The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes.",

keywords = "Density functional theory (B3LYP; theor. and exptl. methods. for study of structure, modeling and dynamics of hindered 5,6-diarylacenaphthenes); Activation enthalpy; Activation entropy; Enthalpy; Entropy; Free energy (atropisomerism; theor. and exptl. methods. for study of structure, modeling and dynamics of hindered 5,6-diarylacenaphthenes); AM1 MO; Activation energy; Atropisomers; Crystal structure; HF MO; Molecular modeling; Molecular structure; NMR; Overhauser effect; Rotational barrier; Transition state structure (theor. and exptl. methods. for study of structure, modeling and dynamics of hindered 5,6-diarylacenaphthenes)",

author = "Wendy Cross and Hawkes, {Geoffrey W.} and Kroemer, {Romano T.} and Liedl, {Klaus R.} and Thomas Loerting and Rima Nasser and Pritchard, {Robin G.} and Melanie Steele and Michael Watkinson and Andrew Whiting and Hawkes, {Geoffrey E.}",

year = "2001",

doi = "10.1039/b008788m",

language = "English",

journal = "Journal of the Chemical Society, Perkin Transactions 2",

publisher = "Chemical Society",

}

TY - JOUR

T1 - The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes.

AU - Cross, Wendy

AU - Hawkes, Geoffrey W.

AU - Kroemer, Romano T.

AU - Liedl, Klaus R.

AU - Loerting, Thomas

AU - Nasser, Rima

AU - Pritchard, Robin G.

AU - Steele, Melanie

AU - Watkinson, Michael

AU - Whiting, Andrew

AU - Hawkes, Geoffrey E.

PY - 2001

Y1 - 2001

KW - Density functional theory (B3LYP; theor. and exptl. methods. for study of structure, modeling and dynamics of hindered 5,6-diarylacenaphthenes); Activation enthalpy; Activation entropy; Enthalpy; Entropy; Free energy (atropisomerism; theor. and exptl. met

UR - https://www.ccdc.cam.ac.uk/structures/search?id=doi:10.5517/cc4wc1d&sid=DataCite

U2 - 10.1039/b008788m

DO - 10.1039/b008788m

M3 - Article

JO - Journal of the Chemical Society, Perkin Transactions 2

JF - Journal of the Chemical Society, Perkin Transactions 2

ER -

The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes.

Keywords

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Other files and links

CCDC 145452: Experimental Crystal Structure Determination

CCDC 100797: Experimental Crystal Structure Determination

Cite this

The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes.

Keywords

Access to Document

Other files and links

Datasets

CCDC 145452: Experimental Crystal Structure Determination

CCDC 100797: Experimental Crystal Structure Determination

Cite this