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Cryptate Complexes with the Potential for CO 2 Activation: Quantum Chemical Predictions and Synthetic Efforts
Author(s) -
Fuchs Alexander,
Kaifer Elisabeth,
Wadepohl Hubert,
Himmel HansJörg
Publication year - 2012
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201200072
Subject(s) - chemistry , cryptand , deprotonation , molecule , quantum chemical , ion , computational chemistry , inorganic chemistry , combinatorial chemistry , organic chemistry
In this work we discuss the possibility of CO 2 activation by novel magnesium and zinc cryptate complexes. The choice of the complexes is partially based on the results of studies on CO 2 fixation by amidometal complexes and partially inspired by the mode of action of the RuBisCO enzyme. Quantum chemical calculations underline the potential of this new approach, and argue for reversible CO 2 activation and bonding to the cryptand complexes. We then report on the first steps towards an experimental realization and its limitations. A new cryptand molecule (15‐oxa‐1,4,7,10‐tetraazabicyclo[5.5.5]heptadecane) was synthesized featuring two secondary amino functions. It was shown to give stable complexes with lithium and zinc ions, in which the metal ions are captured inside the cryptand void. Unfortunately, the last step in the preparation of the targeted complex for CO 2 fixation, namely deprotonation of both secondary amino groups, was not achieved.