How to design linear allenic-type trisilaallenes and trigermaallenes.
A theoretical prescription as to how to design allenic-type linear trisilaallenes and trigermaallenes is provided. Until now, all of the heavier group - 14 analogues of allene were found to be bent, unlike allene itself. DFT calculations show that linear trisilaallenes and trigermaallenes can be designed by using boryl substituents, e.g., (R2B)2E=E=E(BR2)2 (E = Si, Ge). With cyclic boryl substituents the calculated systems may be synthetically accessible.
Department of Chemistry and the Lise Meitner-Minerva Center for Computational Quantum Chemistry, Technion-Israel Institute of Technology, Haifa 32000, Israel.
Monica
M
Kosa
Miriam
M
Karni
Yitzhak
Y
Apeloig