Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 141556-42-5, is researched, SMILESS is CC1=CC(C)=CC(C)=C1[N+]2=[C-]N(C3=C(C)C=C(C)C=C3C)C=C2, Molecular C21H24N2Preprint, ChemRxiv called On the bonding situation in stannocene and plumbocene N-heterocyclic carbene complexes, Author is Danes, Sergi; Mueller, Carsten; Wirtz, Lisa; Huch, Volker; Block, Theresa; Poettgen, Rainer; Schaefer, Andre; Andrada, Diego M., the main research direction is bonding energy stannocene plumbocene heterocyclic carbene complex; crystal structure mol stannocene plumbocene heterocyclic carbene complex optimized.Application In Synthesis of 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene.
A detailed exptl. and computational study of a series of stannocene and plumbocene N-heterocyclic carbene complexes is presented. This unique class of group 14 Lewis acid base adducts was obtained from reactions of the corresponding metallocenes and N-heterocyclic carbenes (NHC), and were structurally characterized by single crystal X-ray diffraction. The obtained structures show a perpendicular pose of the NHC with respect to the metallocene, hence precluding the maximal interaction between the moieties. The nature of the Sn-CNHC and Pb-CNHC bonds have been investigated by applying Energy Decomposition Anal. (EDA-NOCV). For the sake of comparison, known stannocene and plumbocene Lewis base complexes have been included in the series. The attractive chem. bonding interactions are around 50% electrostatic, 30% covalent and 20% dispersion. Indeed, dispersion interactions play a determining role the bigger the substituents become. The covalent interactions derive from the donation of the carbene ligand into the empty p orbital of the metallocene.
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Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles