Bicyclo[1.1.0]tetragermane-2,4-diide Diradicaloid.

ABSTRACT: The synthesis, structure, and reactivity of the bicyclo[1.1.0]tetragermane-2,4-diide compound [(ADC)Ge₂]₂ (3), which features a Ge₄ core bridged by two anionic dicarbene frameworks (ADC = PhC{N(Dipp)C}₂; Dipp = 2,6-iPr₂C₆H₃), are reported. Treatment of an alkyne-functionalized amidine Me₃SiC≡CN(Dipp)C(Ph)═N(Dipp) (1) with GeCl₄ affords [(ADC)GeCl₃(GeCl₄)] (2). KC₈ reduction of 2 yields 3 as a Venetian red crystalline solid. DFT calculations reveal a singlet ground state for 3 with the singlet-triplet energy gap of 14 kcal mol^-1. CASSCF (complete active space self-consistent field) calculations suggest a modest diradical character (β = 9%) for 3. Com

SUBMITTER: Ebeler F 

PROVIDER: S-EPMC12435412 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature