Flat crown ethers with planar tetracoordinate carbon atoms
نویسندگان
چکیده
منابع مشابه
Computational design of organometallic oligomers featuring 1, 3-metal-carbon bonding and planar tetracoordinate carbon atoms
Density functional theory computations (B3LYP) have been used to explore the chemistry of titanium-aromatic carbon "edge complexes" with 1,3-metal-carbon (1,3-MC) bonding between Ti and planar tetracoordinate Cβ . The titanium-coordinated, end-capping chlorides are replaced with OH or SH groups to afford two series of difunctional monomers that can undergo condensation to form oxide- and sulfid...
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We summarize our contributions on the quest of new planar tetracoordinate carbon entities (new carbon molecules with exotic chemical structures and strange bonding schemes). We give special emphasis on the rationalization why in this type of molecules the planar configuration is favored over the tetrahedral one. We will concentrate on the latter and will show that molecules containing planar te...
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A recently proposed system with a central planar tetracoordinate carbon linking two three-membered rings, C(5)(2-), lends itself to extension in one, two, and three dimensions. Our construction of potential realizations begins with an analysis of the electronic structure of C(5)(2-). Dimers such as C(10)Li(3-), C(10)Li(4), and a trimer C(15)Li(6) are then examined, and their geometries are opti...
متن کاملTetracoordinate Planar Nonmetals
Tetracoordinate planar carbon (that is, carbon atoms coordinated by four other atoms in a square-planar arrangement), first proposed by Hoffmann et al. over thirty years ago, was recently observed in the vibrationally averagedD4h [Al4C] , C2v Al3XC, [Al3XC] (X= Si,Ge), and [CAl4] 2 . Tetracoordinate planar (TP) Si and Ge centers were also discovered in MAl4 and [MAl4] . The TP bonding character...
متن کاملPlane and simple: planar tetracoordinate carbon centers in small molecules.
A class of neutral 18-electron molecules with planar tetracoordinate carbon (ptC) centers is introduced. We show computationally that when n = 3 the neutral singlet molecule C(BeH)(n)(BH(2))(4-n) and other isoelectronic (18-valence electron) molecules of main group elements collapse from locally tetrahedral arrangements at the C-center to (near) planar tetracoordinate structures. For C(BeH)(3)B...
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 2020
ISSN: 0020-7608,1097-461X
DOI: 10.1002/qua.26479