Abstract:
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.
Document Type:
Article
Language: English
Citation:
R. M. Minyaev, V. I. Minkin, T. N. Gribanova, “A quantum-chemical study of carbon sandwich compounds”, Mendeleev Commun., 14:3 (2004), 96–98
Linking options:
https://www.mathnet.ru/eng/mendc3823
https://www.mathnet.ru/eng/mendc/v14/i3/p96
This publication is cited in the following 26 articles:
Ritam R. Borah, Rinu P. Deka, “Structure, stability and reactivity of inverse sandwich complexes M‐Be3‐M and M‐Zn3‐M (M = Li, Na, K, Cu, Ag, Au)”, Int J of Quantum Chemistry, 124:1 (2024)
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
Amlan Jyoti Kalita, Prem Prakash Sahu, Ritam Raj Borah, Shahnaz Sultana Rohman, Chayanika Kashyap, Sabnam Swabaka Ullah, Indrani Baruah, Lakhya Jyoti Mazumder, Dimpul Konwar, Ankur Kanti Guha, “Neutral all metal aromatic half-sandwich complexes between alkaline earth and transition metals: an ab initio exploration”, Struct Chem, 32:6 (2021), 2313
Koushik Saha, Urminder Kaur, Beesam Raghavendra, Sundargopal Ghosh, “Role of Metals and Thiolate Ligands in the Structures and Electronic Properties of Group 5 Bimetallic–Thiolate Complexes”, Inorg. Chem., 59:17 (2020), 12494
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
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