Abstract
Weak Zn-Zn triple bond is achieved through six s1 type donors in the form of six Li atoms incorporated to Zn2 dimer which results in the formation of Zn2Li6 cluster. The proposed cluster is found to be global minimum in the potential energy surface. Accumulation of significant electron density in 4p orbitals of Zn has facilitated this bonding scenario. Various bonding analyses reveal the presence of triple bonding character and was found to be weak and slipped type. Out of the three bonds one is a conventional π bond while the other two are slipped bonds out of which one is of π type and the rest one is of σ type. The calculated thermodynamics of formation is also very favorable. The effective bond order (EBO) is calculated to be around 2.8 which also back the triple bonding nature.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
