Concepedia

Theoretical and Synthetic Studies on [Zn<sub>2</sub>(η<sup>5</sup>‐C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]: Analysis of the ZnZn Bonding Interaction

Diego del Rı́o, Agustı́n Galindo, I. Resa, Ernesto Carmona

Angewandte Chemie International Edition · 2005 · 152 citations · 21 references

DOI

Concepts

Abstract

More than 1 g of the dizinc compound [Zn2(η5-C5Me5)2] can be readily obtained in a single preparation. Density functional calculations reveal that the ZnZn bond is relatively strong and derives mainly from interaction between the Zn 4 s orbitals (see picture).

References

21

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

, , +10

Electronic structure and spectra of ruthenium diimine complexes by density functional theory and INDO/S. Comparison of the two methods

S.I. Gorelsky, A. B. P. Lever · Journal of Organometallic Chemistry · 2001 · 963 citations

, , +13

Decamethyldizincocene, a Stable Compound of Zn(I) with a Zn-Zn Bond

I. Resa, Ernesto Carmona, Enrique Gutiérrez‐Puebla et al. · Science · 2004 · 561 citations

, , +9