Аннотация:
Ab initio [MP2(fu)/6-311+G**] and DFT (B3LYP/6-311+G**) calculations predict highly symmetrical stable structures of sandwich compounds with a central carbon atom between three-, four- and five-membered (BH)n rings.
Тип публикации:
Статья
Язык публикации: английский
Образец цитирования:
R. M. Minyaev, V. I. Minkin, T. N. Gribanova, “A quantum-chemical study of carbon sandwich compounds”, Mendeleev Commun., 14:3 (2004), 96–98
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/mendc3823
https://www.mathnet.ru/rus/mendc/v14/i3/p96
Эта публикация цитируется в следующих 26 статьяx:
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Ritam R. Borah, Rinu P. Deka, Ankur K. Guha, “B3H3Be ← F–: A Case of Extremely Strong Dative Bond”, J. Phys. Chem. A, 128:38 (2024), 7995
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Tatyana N. Gribanova, Ruslan M. Minyaev, Vladimir I. Minkin, Alexander I. Boldyrev, “Novel architectures of boron”, Struct Chem, 31:6 (2020), 2105
Tatyana N. Gribanova, Ruslan M. Minyaev, Vladimir I. Minkin, “Stabilization of non-typical forms of boron clusters by beryllium doping”, Chemical Physics, 522 (2019), 44
Tatyana N. Gribanova, Ruslan M. Minyaev, Vladimir I. Minkin, “Stabilization of boron clusters with classical fullerene structures by combined doping effect: a quantum chemical study”, Struct Chem, 29:1 (2018), 327
Tatyana N. Gribanova, Ruslan M. Minyaev, Vladimir I. Minkin, “Hypercoordinated carbon in C-doped boron fullerenes: a quantum chemical study”, Struct Chem, 28:2 (2017), 357
Oottikkal Shameema, Eluvathingal D. Jemmis, Encyclopedia of Inorganic and Bioinorganic Chemistry, 2011
T. N. Gribanova, R. M. Minyaev, V. I. Minkin, “Sandwich and multidecker sandwich derivatives of first-row elements (Be, C, N)”, Dokl Chem, 424:1 (2009), 1
O. A. Gapurenko, R. M. Minyaev, V. I. Minkin, “Theoretical design of new sandwich compounds of boron, carbon, nitrogen, and oxygen”, Russ J Gen Chem, 79:4 (2009), 728
R. M. Minyaev, V. I. Minkin, “Nonclassical carbon: From theory to experiment”, Russ J Gen Chem, 78:4 (2008), 732
Yang Wang, Yuanhe Huang, Bing Yin, Baohua Yang, Ruozhuang Liu, “Octacoordinate Carbons Encaged Inside Carborane Clusters: A Density Functional Theory Investigation”, J. Phys. Chem. A, 112:33 (2008), 7643
T. N. Gribanova, R. M. Minyaev, V. I. Minkin, “Hypercoordinated oxygen and fluorine atoms in an organoboron cage”, Dokl Chem, 412:1 (2007), 1
O. A. Gapurenko, T. N. Gribanova, R. M. Minyaev, V. I. Minkin, “Octacoordinate carbon atom in tetra(metalloamino)methanes CN4M4 (M = Be, Mg, Ca): Quantum-chemical investigation”, Russ J Org Chem, 43:5 (2007), 685
R. M. Minyaev, V. I. Minkin, T. N. Gribanova, A. G. Starikov, O. A. Gapurenko, “Hypercoordinated carbon in endohedral hydrocarbon cage complexes C@C20H 20 4- and C@C20H20 · Li4”, Dokl Chem, 407:2 (2006), 47
A. G. Starikov, R. M. Minaev, V. I. Minkin, “Geometry and electronic structure of lithium sandwich complexes [(OLIGOCENE)2] n+1Li n+1: A quantum-chemical study”, Dokl Chem, 409:1 (2006), 113
Ruslan M. Minyaev, Vladimir I. Minkin, Tatyana N. Gribanova, Andrey G. Starikov, “Sandwich compounds with central hypercoordinate carbon, nitrogen, and oxygen: A quantum‐chemical study”, Heteroatom Chemistry, 17:6 (2006), 464
Yang Wang, Yuanhe Huang, Ruozhuang Liu, “Hexa‐ and Octacoordinate Carbon in Hydrocarbon Cages: Theoretical Design and Characterization”, Chemistry A European J, 12:13 (2006), 3610