All-Transition Metal Aromaticity and Antiaromaticity
作者： Alina P. Sergeeva , Boris B. Averkiev , Alexander I. Boldyrev
DOI: 10.1007/978-3-642-05243-9_8
关键词: Atom 、 Triatomic molecule 、 Aromaticity 、 Cluster (physics) 、 Chemical bond 、 Antiaromaticity 、 Singlet state 、 Chemistry 、 Transition metal 、 Computational chemistry
摘要: Though aromaticity in compounds containing a transition-metal atom has already been discussed for quite long time, all-transition metal systems have recognized only recently. There are examples of σ-, π-, and δ-aromaticity based on s-, p-, d-AOs. We derived the counting rules σ −, δ-, ϕ-aromaticity/antiaromaticity both singlet/triplet coupled model triatomic tetratomic so that one could use those to rationalize antiaromaticity systems. These can be easily extended any cyclic composed out odd or even number atoms. elucidated application these systems: Au3 +/Au3 Na2Zn3, Hg4 6 Mo3O9 2 Sc3 Hf3, Ta3 − clusters. believe concepts aromaticity, conflicting an important theoretical tool deciphering chemical bonding various known novel transition
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