Related Products of 1271-51-8, Because a catalyst decreases the height of the energy barrier, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.1271-51-8, Name is Vinylferrocene, molecular formula is C12H3Fe. In a article£¬once mentioned of 1271-51-8
Characterization of non-classical C[sbnd]Br?pi interactions in (E)-1,3-dibromo-5-(2-(ferrocenyl)vinyl)benzene and related derivatives of ferrocene
Amongst the halogens, the involvement of bromine atoms in various types of intermolecular interactions is comparatively the least studied. In this manuscript, we report the formation of C[sbnd]Br?pi interactions, with the pi-rings being the cyclopentadienyl (Cp) rings of a ferrocene molecule in a newly synthesized compound (E)-1,3-dibromo-5-(2-(ferrocenyl)vinyl)benzene. We have also performed a detailed quantitative analysis on C[sbnd]Br?pi interactions observed in the synthesized molecule and in several related molecules found in the Cambridge Structure Database (CSD) showing the presence of these interactions. A topological analysis based upon QTAIM theory and electrostatic potential ESP mapped on the Hirshfeld surface of these molecules confirm that these interactions are better described as ?halogen bonds? wherein the electropositive region (sigma-hole) on the Br-atom interacts with the electronegative region over the Cp-ring of the ferrocene. Further, the electronegative region on the bromine atom (perpendicular to the C[sbnd]Br bond) was observed to be involved in the formation of highly directional C[sbnd]H?Br interactions with the ?C[sbnd]Br?H close to 90. Thus the bromine atom is acting as both a ?halogen bond donor? and ?hydrogen bond acceptor? in the crystal packing with the two interactions being mutually orthogonal.
Characterization of non-classical C[sbnd]Br?pi interactions in (E)-1,3-dibromo-5-(2-(ferrocenyl)vinyl)benzene and related derivatives of ferrocene
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Reference£º
Iron Catalysis in Organic Synthesis | Chemical Reviews,
Iron Catalysis in Organic Synthesis: A Critical Assessment of What It Takes To Make This Base Metal a Multitasking Champion