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- URN to cite this document:
- urn:nbn:de:bvb:355-epub-446500
- DOI to cite this document:
- 10.5283/epub.44650
This publication is part of the DEAL contract with Wiley.
Abstract
We present a computational study on tetrapnictide dianionsPn(4)(2-)(Pn = P, As, Sb, Bi), using density functional theory (DFT), coupled-cluster [DLPNO-CCSD(T)] and complete active space self-consistent field (CASSCF) methods. Environmental effects such as solvation and coordination of counterions are included. The calculations reveal that out of three isomers (square-planar, butterfly and ...
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