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Electrochemical, spectral, and computational studies of metalloporphyrin dimers formed by cation complexation of crown ether cavities.
Chitta R, Rogers LM, Wanklyn A, Karr PA, Kahol PK, Zandler ME, D'Souza F. Chitta R, et al. Inorg Chem. 2004 Nov 1;43(22):6969-78. doi: 10.1021/ic0497228. Inorg Chem. 2004. PMID: 15500335
The geometry and electronic structure of a representative ZnTCP and its dimer, K(4)(ZnTCP)(2), were evaluated by the ab initio B3LYP method utilizing a mixed basis set of 3-21G(*) for Zn, K, O, and N and STO-3G for C and H. ...The metal-metal distances calculated fr …
The geometry and electronic structure of a representative ZnTCP and its dimer, K(4)(ZnTCP)(2), were evaluated by the ab initio B3LYP …