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On the Molecular Structure and Bonding in a Lithium Bismuth Porphyrin Complex: LiBi(TPP) 2
Author(s) -
Balasanthiran Vagulejan,
Chisholm Malcolm H.,
Durr Christopher B.
Publication year - 2014
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201308672
Subject(s) - porphyrin , bismuth , chemistry , molecule , tetraphenylporphyrin , lithium (medication) , crystallography , bond order , nuclear magnetic resonance spectroscopy , molecular orbital , computational chemistry , bond length , photochemistry , stereochemistry , organic chemistry , medicine , endocrinology
A new BiLi porphyrin sandwich compound, LiBi(TPP) 2 has been synthesized and characterized (TPP=tetraphenylporphyrin). The unique molecular structure of LiBi(TPP) 2 is such that the Bi sits between the porphyrins and is directed towards the Li. This complex was shown to remain intact in solution by temperature‐dependent 2D NMR spectroscopy. In order to investigate the potential interaction between these two metals, DFT calculations were used and showed a Bi 6s orbital polarized towards Li which could be indicative of a BiLi dative bond. This bond is remarkably short, 2.87 Å, and is among the shortest BiLi distances seen in a small molecule.