Theoretical Investigations of Zintl Anions Analogous to Ozone
โ Scribed by Hagelberg, F.; Das, T. P.; Weil, K. G.
- Book ID
- 127253961
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 140 KB
- Volume
- 102
- Category
- Article
- ISSN
- 1089-5639
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๐ SIMILAR VOLUMES
Ab initio SCF and CI calculations xc reported which find the cyclic conformer of czone to Iic 16 kczl/mole above the preferred (open-chain) form of this substance. Polarization functions ir! the A0 basis set are found to be quite important in this dctcrmination, strongly favorin g the cyclic species
In this paper we present the electronic and structural study of beryllium molecules analogous to crown ethers, where the -CH 2 -groups have been exchanged for beryllium atoms. The resulting structures are completely planar, unlike crown ethers, that the latter are bi-dimensional and flexible. In add