Аннотация:
Density functional theory [B3LYP/6-311G(2df)] calculations predict stable planar structures of the nonclassical compounds XB8 (X = Si, P+) containing central octacoordinated silicon and phosphorus atoms, and a fluxional structure of CB8 with effective octacoordination of the carbon atom.
Тип публикации:
Статья
Язык публикации: английский
Образец цитирования:
R. M. Minyaev, T. N. Gribanova, A. G. Starikov, V. I. Minkin, “Octacoordinated main-group element centres in a planar cyclic B8 environment: an ab initio study”, Mendeleev Commun., 11:6 (2001), 213–214
Meng‐hui Wang, De‐hou Fei, Chen Chen, Yu‐qian Liu, Sudip Pan, Zhong‐hua Cui, “Global Planar Tetra‐, Penta‐ and Hexa‐coordinate Silicon Clusters Constructed by Decorating SiO3 with Alkali Metals”, ChemPhysChem, 24:15 (2023)
Kang Wang, Sheng-Jie Lu, Chuan-Biao Zhang, “B6C8 and its anion: a planar dodecagon reinforced by the central strong B-B single bond and aromaticity”, Theor Chem Acc, 141:4 (2022)
Sheng-Jie Lu, “B8C10: A C2v planar polycyclic structure bridged by the central strong C C bond and strengthened by the aromaticity”, Chemical Physics Letters, 801 (2022), 139715
T. N. Gribanova, R. M. Minyaev, V. I. Minkin, “A new 3D-aromatic organoboron species on the basis of CB6 unit: Two states of carbon hypercoordination and structural isomerism of non-classical forms”, Mendeleev Commun., 32:3 (2022), 298–301
Tian Jian, Xuenian Chen, Si-Dian Li, Alexander I. Boldyrev, Jun Li, Lai-Sheng Wang, “Probing the structures and bonding of size-selected boron and doped-boron clusters”, Chem. Soc. Rev., 48:13 (2019), 3550
Olga A. Gapurenko, Ruslan M. Minyaev, Vladimir I. Minkin, Organosilicon Compounds, 2017, 3
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
Dang Thi Tuyet Mai, Long Van Duong, Truong Ba Tai, Minh Tho Nguyen, “Electronic Structure and Thermochemical Parameters of the Silicon-Doped Boron Clusters BnSi, with n = 8–14, and Their Anions”, J. Phys. Chem. A, 120:20 (2016), 3623
Li‐Ming Yang, Eric Ganz, Zhongfang Chen, Zhi‐Xiang Wang, Paul von Ragué Schleyer, “Four Decades of the Chemistry of Planar Hypercoordinate Compounds”, Angew Chem Int Ed, 54:33 (2015), 9468
Li‐Ming Yang, Eric Ganz, Zhongfang Chen, Zhi‐Xiang Wang, Paul von Ragué Schleyer, “Vier Jahrzehnte Chemie der planar hyperkoordinierten Verbindungen”, Angewandte Chemie, 127:33 (2015), 9602
M. Tang, “Theoretical studies on the penta-atomic planar coordinate carbon molecules [CGa3Sn] and [CGa3Sn]-”, Russ J Coord Chem, 40:8 (2014), 594
Fengyu Li, De-en Jiang, Zhongfang Chen, “Computational quest for spherical C12B68 fullerenes with “magic” π-electrons and quasi-planar tetra-coordinated carbon”, J Mol Model, 20:2 (2014)
Laetitia Bomble, Stephan N. Steinmann, Nancy Perez‐Peralta, Gabriel Merino, Clemence Corminboeuf, “Bonding analysis of planar hypercoordinate atoms via the generalized BLW‐LOL”, J Comput Chem, 34:26 (2013), 2242
Ke Zhou, “Theoretical studies on the pentaatomic planar tetracoordinate carbon molecules CGa3Si and CGa3Si-”, Computational and Theoretical Chemistry, 1009 (2013), 30
Ivan A. Popov, Valery F. Popov, Konstantin V. Bozhenko, Ivan Černušák, Alexander I. Boldyrev, “Structural changes in the series of boron-carbon mixed clusters CxB10-x- (x = 3-10) upon substitution of boron by carbon”, The Journal of Chemical Physics, 139:11 (2013)
Timur R. Galeev, Wei-Li Li, Constantin Romanescu, Ivan Černušák, Lai-Sheng Wang, Alexander I. Boldyrev, “Photoelectron spectroscopy and ab initio study of boron-carbon mixed clusters: CB9- and C2B8-”, The Journal of Chemical Physics, 137:23 (2012)
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