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Conformations and rotational barriers of di‐ and tetraarylporphyrins; a computational and experimental study

 

作者: Robert Schrijvers,   Marinus van Dijk,   Georgine M. Sanders,   Ernst J. R. Sudhölter,  

 

期刊: Recueil des Travaux Chimiques des Pays‐Bas  （WILEY Available online 1994）
卷期: Volume 113, issue 7‐8  

页码: 351-354

 

ISSN:0165-0513

 

年代: 1994

 

DOI:10.1002/recl.19941130703

 

出版商: WILEY‐VCH Verlag

 

数据来源: WILEY

 

摘要:

AbstractThe usefulness of molecular‐mechanics calculations in the study of the conformational properties of several tetraarylporphyrins and diarylporphyrins is demonstrated. Energy‐minimized conformations and rotational barriers of several substituted and unsubstituted arylporphyrins correspond very well with experimental resu

 

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