01280nas a2200157   4500008004100000022001400041245007600055210007000131260000800201300001400209490000700223520074700230100002100977700001700998856010701015       2024                        eng d  a0276-733300aIn silico discovery of a neutral 2π aromatic silicon aluminum compound0 aIn silico discovery of a neutral 2π aromatic silicon aluminum co  cJUL  a1583-15920 v433 a<p>
	The recently developed ab initio nanoreactor (AINR) approach to identifying reaction intermediates and pathways without the necessity of experimental input has been employed in the current work to locate new cyclic silicon-based structures that have the potential to display aromaticity. Using this approach, we have identified many cyclic silicon-based molecules that have been experimentally reported over the past three decades. More importantly, the current work showcases an interesting new molecule that has been discovered through this approach: a four-membered cyclic compound of silicon and aluminum that displays significant 2 pi aromaticity and is capable of the activation of important small molecules such as ammonia.</p>
1 aSharma, Himanshu1 aVanka, Kumar  uhttps://library.ncl.res.in/content/silico-discovery-neutral-2%CF%80-aromatic-silicon-aluminum-compound