“Bottled” spiro-doubly aromatic trinuclear [Pd₂Ru]⁺complexes

Abstract

Following an ongoing interest in the study of transition metal complexes with exotic bonding networks, we report herein the synthesis of a family of heterobimetallic triangular clusters involving Ru and...

Periodoannulenes: A Generalized Annulene-within-an-Annulene Paradigm for Combined σ and π Ring Currents

“…For C 8 I 8 (1) and C 8 I 8 + (1 + ), the predicted singlet ground-state electron configurations differ between HF and B3LYP. For the neutral species, the ground-state electronic configuration with the B3LYP functional was found to be (•••) (9b 2u ) 2 (42e u ) 4 (23a 1g ) 2 . We call this Configuration B.…”

“…16 A second example has now appeared. 2 The present article returns to some systems of earlier interest as possible experimental realizations of double aromaticity. We deal with a theoretical puzzle about aromaticity in substituted benzenes that was apparently solved, then "unsolved" by further experimental evidence.…”

Bridging Aromatic/Antiaromatic Units: Recent Advances in Aromaticity and Antiaromaticity in Main‐Group and Transition‐Metal Clusters from Bonding and Magnetic Analyses

“…Another notable example of the bridging transition metal with the aromatic ring is a recently synthesized triangular [Pd 2 Ru] + complex (Figure 7A), reported by Maestri and coworkers [89] . This is the first example of a trinuclear core comprised of non‐adjacent transition metals on the periodic table.…”

“…AdNDP is a perfect tool to describe multicenter bonding interactions, which could furtherly be tested to identify aromatic/antiaromatic/nonaromatic motifs. AdNDP is flexible and efficient approach for deciphering bonding schemes for any bonding type and stoichiometry, leading to chemically intuitive visual electron distributions [88,89] . In addition to isolated clusters [90–95] and molecules, [86,88] AdNDP can handle non‐trivial cases, such as mechanically trapped systems, [96] solvated ions, [97] electrides, [98] surface defects, [99] and periodic materials [100–104] .…”

C−I Selective Sonogashira and Heck Coupling Reactions Catalyzed by Aromatic Triangular Tri‐palladium

“…[9][10][11][12][13] In recent years, the theoretical and experimental investigations of triangular all-metal aromatic complexes have attracted full interest by many groups. [14][15][16][17][18][19][20][21][22][23] Among them, Maestri and colleagues firstly prepared the highly symmetrical 44-core-valence-electron tri-palladium cluster [{(SAr')(PAr 3 )Pd} 3 ]SbF 6 , abbreviated as [Pd 3 ] + , from S-aryl isothioureas. These triangular [Pd 3 ] + had been theoretically proved to possess an aromatic character.…”