Pure and Applied Chemistry

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• Tam Nguyen Minh, Ngan Vu Thi, Nguyen Minh Tho: Planar tetracoordinate carbon stabilized by heavier congener cages: The Si9C and Ge9C clusters. Chemical Physics Letters 2014, 595-596, 272. <http://dx.doi.org/10.1016/j.cplett.2014.02.015>
• Wu Yan-Bo, Li Yan-Qin, Bai Hui, Lu Hai-Gang, Li Si-Dian, Zhai Hua-Jin, Wang Zhi-Xiang: D3h [A-CE3-A]− (E = Al and Ga, A = Si, Ge, Sn, and Pb): A new class of hexatomic mono-anionic species with trigonal bipyramidal carbon. J. Chem. Phys. 2014, 140, 104302. <http://dx.doi.org/10.1063/1.4867364>
• Boudhar Aicha, Charpenay Mélanie, Blond Gaëlle, Suffert Jean: Fenestrane in der Synthese: einzigartige und inspirierende Grundgerüste. Angew. Chem. 2013, 125, 13020. <http://dx.doi.org/10.1002/ange.201304555>
• Boudhar Aicha, Charpenay Mélanie, Blond Gaëlle, Suffert Jean: Fenestranes in Synthesis: Unique and Highly Inspiring Scaffolds. Angew. Chem. Int. Ed. 2013, 52, 12786. <http://dx.doi.org/10.1002/anie.201304555>
• Santos Marcus V. P. dos, Aguiar Eduardo C., Silva João Bosco P. da, Longo Ricardo L.: PICVib: An accurate, fast, and simple procedure to investigate selected vibrational modes at high theoretical levels. J. Comput. Chem. 2013, 34, 611. <http://dx.doi.org/10.1002/jcc.23166>
• Fias Stijn, Boisdenghien Zino, Stuyver Thijs, Audiffred Martha, Merino Gabriel, Geerlings Paul, de Proft Frank: Analysis of Aromaticity in Planar Metal Systems using the Linear Response Kernel. J. Phys. Chem. A 2013, 117, 3556. <http://dx.doi.org/10.1021/jp401760j>
• Wu Yan-Bo, Li Zong-Xiao, Pu Xiao-Hua, Wang Zhi-Xiang: Computational design of linear, flat, and tubular nanomolecules using planar tetracoordinate carbon C2Al4 units. Computational and Theoretical Chemistry 2012, 992, 78. <http://dx.doi.org/10.1016/j.comptc.2012.05.008>
• Castro Abril Carolina, Audiffred Martha, Mercero Jose M., Ugalde Jesus M., Méndez-Rojas Miguel A., Merino Gabriel: Planar tetracoordinate carbon in CE42− (E=Al–Tl) clusters. chem phys letts 2012, 519-520, 29. <http://dx.doi.org/10.1016/j.cplett.2011.11.030>
• Wu Yan-Bo, Duan Yan, Lu Hai-Gang, Li Si-Dian: CAl₂Be₃^2– and Its Salt Complex LiCAl₂Be₃^–: Anionic Global Minima with Planar Pentacoordinate Carbon. J Phys Chem A 2012, 116, 3290. <http://dx.doi.org/10.1021/jp300302w>
• Wu Menghao, Pei Yong, Dai Jun, Li Hui, Zeng Xiao Cheng: Tri-Wing Graphene Nano-Paddle-Wheel with a Single-File Metal Joint: Formation of Multi-Planar Tetracoordinated-Carbon (ptC) Strips. J. Phys. Chem. C 2012, 116, 11378. <http://dx.doi.org/10.1021/jp302115n>
• Chakraborty Arindam, Bandaru Sateesh, Das Ranjita, Duley Soma, Giri Santanab, Goswami Koushik, Mondal Sukanta, Pan Sudip, Sen Soumya, Chattaraj Pratim K.: Some novel molecular frameworks involving representative elements. Phys. Chem. Chem. Phys. 2012, 14, 14784. <http://dx.doi.org/10.1039/c2cp41424d>
• Liao Yunlong, Cruz Clara Leticia, von Ragué Schleyer Paul, Chen Zhongfang: Many M©Bn boron wheels are local, but not global minima. Phys. Chem. Chem. Phys. 2012, 14, 14898. <http://dx.doi.org/10.1039/c2cp41521f>
• Wu Yan-Bo, Duan Yan, Lu Gang, Lu Hai-Gang, Yang Pin, Schleyer Paul von Ragué, Merino Gabriel, Islas Rafael, Wang Zhi-Xiang: D3h CN3Be3+ and CO3Li3+: viable planar hexacoordinate carbon prototypes. Phys. Chem. Chem. Phys. 2012, 14, 14760. <http://dx.doi.org/10.1039/c2cp41822c>
• Crigger Chad, Wittmaack Bernard K., Tawfik Marina, Merino Gabriel, Donald Kelling J.: Plane and simple: planar tetracoordinate carbon centers in small molecules. Phys. Chem. Chem. Phys. 2012, 14, 14775. <http://dx.doi.org/10.1039/c2cp41986f>
• Ivanov Alexander S., Boldyrev Alexander I.: Reliable predictions of unusual molecules. Phys. Chem. Chem. Phys. 2012, 14, 15943. <http://dx.doi.org/10.1039/c2cp42877f>
• Pujari Bhalchandra S, Tokarev Andrey, Saraf Deepashri A: Theoretical investigation of planar square carbon allotrope and its hydrogenation. J Phys -Condensed Matter 2012, 24, 175501. <http://dx.doi.org/10.1088/0953-8984/24/17/175501>
• Hashjin Shahin Sowlati: Are extended structures based on C52- building block viable?. Computational and Theoretical Chemistry 2011, 966, 91. <http://dx.doi.org/10.1016/j.comptc.2011.02.018>
• Li Yafei, Li Fengyu, Zhou Zhen, Chen Zhongfang: SiC2 Silagraphene and Its One-Dimensional Derivatives: Where Planar Tetracoordinate Silicon Happens. J. Am. Chem. Soc. 2011, 133, 900. <http://dx.doi.org/10.1021/ja107711m>
• Cui Zhong-hua, Contreras Maryel, Ding Yi-hong, Merino Gabriel: Planar Tetracoordinate Carbon versus Planar Tetracoordinate Boron: The Case of CB₄ and Its Cation. J Ann Chem Soc 2011, 133, 13228. <http://dx.doi.org/10.1021/ja203682a>
• Wu Yan-Bo, Li Zong-Xiao, Pu Xiao-Hua, Wang Zhi-Xiang: Design of Molecular Chains Based on the Planar Tetracoordinate Carbon Unit C₂Al₄. J Phys Chem C 2011, 115, 13187. <http://dx.doi.org/10.1021/jp202200p>
• Cui Zhong-hua, Ding Yi-hong: NXAl3+ (X = N, P, As): penta-atomic planar tetracoordinate nitrogen with N–X multiple bonding. Phys Chem Chem Phys 2011, 13, 5960. <http://dx.doi.org/10.1039/c0cp02475a>
• Cooper Oliver J., Wooles Ashley J., McMaster Jonathan, Lewis William, Blake Alexander J., Liddle Stephen T.: A Monomeric Dilithio Methandiide with a Distorted trans-Planar Four-Coordinate Carbon. Angew Chem 2010, 122, 5702. <http://dx.doi.org/10.1002/ange.201002483>
• Cooper Oliver J., Wooles Ashley J., McMaster Jonathan, Lewis William, Blake Alexander J., Liddle Stephen T.: A Monomeric Dilithio Methandiide with a Distorted trans-Planar Four-Coordinate Carbon. Angew Chem Int Ed 2010, 49, 5570. <http://dx.doi.org/10.1002/anie.201002483>
• Wu Yan-Bo, Jiang Jin-Liang, Zhang Ren-Wu, Wang Zhi-Xiang: Computationally Designed Families of Flat, Tubular, and Cage Molecules Assembled with “Starbenzene” Building Blocks through Hydrogen-Bridge Bonds. Chem Eur J 2010, 16, 1271. <http://dx.doi.org/10.1002/chem.200901983>
• Radom Leo, Rasmussen Danne R.: ChemInform Abstract: The Planar Carbon Story. ChemInform 2010, 30, no. <http://dx.doi.org/10.1002/chin.199928334>
• Elguero José, Alkorta Ibon: A theoretical study of the stationary structures of the methane surface with special emphasis on NMR properties. chem phys letts 2010, 489, 35. <http://dx.doi.org/10.1016/j.cplett.2010.02.051>
• Wu Yan-Bo, Jiang Jin-Liang, Li Hua, Chen Zhongfang, Wang Zhi-Xiang: A bifunctional strategy towards experimentally (synthetically) attainable molecules with planar tetracoordinate carbons. Phys Chem Chem Phys 2010, 12, 58. <http://dx.doi.org/10.1039/b916594k>
• Jimenez-Halla J. Oscar C., Wu Yan-Bo, Wang Zhi-Xiang, Islas Rafael, Heine Thomas, Merino Gabriel: CAl4Be and CAl3Be2−: global minima with a planar pentacoordinate carbon atom. Chem Commun 2010, 46, 8776. <http://dx.doi.org/10.1039/c0cc03479g>
• Cui Zhong-hua, Shao Chang-bin, Gao Si-meng, Ding Yi-hong: Pentaatomic planar tetracoordinate carbon molecules [XCAl3]q [(X,q) = (B,−2), (C,−1), (N,0)] with C–X multiple bonding. Phys Chem Chem Phys 2010, 12, 13637. <http://dx.doi.org/10.1039/c0cp00296h>
• Yang Li-ming, Li Xiao-ping, Ding Yi-hong, Sun Chia-chung: CSi2Ga2: a neutral planar tetracoordinate carbon (ptC) building block. J Mol Model 2009, 15, 97. <http://dx.doi.org/10.1007/s00894-008-0362-4>
• Wu QunYan, Tang YuPeng, Zhang XiuHui: Boron rings containing planar octacoordinate iron and cobalt. SCI CHINA SER B 2009, 52, 288. <http://dx.doi.org/10.1007/s11426-009-0049-4>
• Tiznado William, Perez-Peralta Nancy, Islas Rafael, Toro-Labbe Alejandro, Ugalde Jesus M., Merino Gabriel: Designing 3-D Molecular Stars. J Am Chem Soc 2009, 131, 9426. <http://dx.doi.org/10.1021/ja903694d>
• Yang Li-Ming, Ding Yi-Hong, Sun Chia-Chung: The Si-doped planar tetracoordinate carbon (ptC) unit CAl3Si− could be used as a building block or inorganic ligand during cluster-assembly. Theor Chem Acc 2008, 119, 335. <http://dx.doi.org/10.1007/s00214-007-0389-0>
• Gribanova T. N., Minyaev R. M., Minkin V. I.: Theoretical design of planar systems with hypercoordinate p elements of the second period in a nonmetallic environment. Russ J Gen Chem 2008, 78, 750. <http://dx.doi.org/10.1134/S107036320804035X>
• Merino Gabriel, Méndez-Rojas Miguel A., Vela Alberto, Heine Thomas: Recent advances in planar tetracoordinate carbon chemistry. J Comput Chem 2007, 28, 362. <http://dx.doi.org/10.1002/jcc.20515>
• Sateesh B., Srinivas Reddy A., Narahari Sastry G.: Towards design of the smallest planar tetracoordinate carbon and boron systems. J Comput Chem 2007, 28, 335. <http://dx.doi.org/10.1002/jcc.20552>
• Yang Li-ming, Ding Yi-hong, Tian Wei Quan, Sun Chia-chung: Planar carbon radical’s assembly and stabilization, a way to design spin-based molecular materials. Phys Chem Chem Phys 2007, 9, 5304. <http://dx.doi.org/10.1039/b707898f>
• Dodziuk Helena, Ostrowski Maciej: Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane. Eur J Org Chem 2006, 2006, 5231. <http://dx.doi.org/10.1002/ejoc.200600237>
• Wang Yang, Huang Yuanhe, Liu Ruozhuang: Squeezing carbon dimers into the smallest fullerenes: DFT prediction of new carbon clusters containing double hypercoordinate carbons. Journal of Molecular Structure: THEOCHEM 2006, 775, 61. <http://dx.doi.org/10.1016/j.theochem.2006.07.020>
• Voronkov M. G., Rulev A. Yu.: Beauty and elegance in the world of molecules. Her Russ Acad Sci 2006, 76, 564. <http://dx.doi.org/10.1134/S1019331606060062>
• Erhardt Stefan, Frenking Gernot, Chen Zhongfang, Schleyer Paul von Ragué: Aromatic Boron Wheels with More than One Carbon Atom in the Center: C2B8, C3B93+, and C5B11+. Angew Chem 2005, 117, 1102. <http://dx.doi.org/10.1002/ange.200461970>
• Erhardt Stefan, Frenking Gernot, Chen Zhongfang, Schleyer Paul von Ragué: Aromatic Boron Wheels with More than One Carbon Atom in the Center: C2B8, C3B93+, and C5B11+. Angew Chem Int Ed 2005, 44, 1078. <http://dx.doi.org/10.1002/anie.200461970>
• Rae Ian D.: Chemistry in Australia: Growing Up, Down Under. Ambix 2005, 52, 7. <http://dx.doi.org/10.1179/000269805X52887>
• Structural and Bonding Trends among the B₇C₁^1-,B₆C₂, and B₅C₃¹⁺. Bulletin of the Korean Chemical Society 2005, 26, 63. <http://dx.doi.org/10.5012/bkcs.2005.26.1.063>
• Deva Priyakumar U., Narahari Sastry G.: A system with three contiguous planar tetracoordinate carbons is viable: a computational study on a C6H62= isomer. Tetrahetron Lett 2004, 45, 1515. <http://dx.doi.org/10.1016/j.tetlet.2003.12.019>
• Priyakumar U.Deva, Reddy A.Srinivas, Sastry G.Narahari: The design of molecules containing planar tetracoordinate carbon. Tetrahetron Lett 2004, 45, 2495. <http://dx.doi.org/10.1016/j.tetlet.2004.02.017>
• Dodziuk H., Dolgonos G., Leszczynski J.: Tricyclo[2.2.0.01,3]hexane: a new hypothetical molecule which should have only one inverted carbon atom. Tetrahedron 2003, 59, 10013. <http://dx.doi.org/10.1016/j.tet.2003.10.022>
• Dodziuk H, Dolgonos G, Leszczynski J: A quantum chemical study of tricyclo[3.2.0.01,3]heptane: a new hypothetical molecule with unusual spatial structure. Similarities and differences with syn- and anti-tricyclo[3.2.0.02,4]heptanes. Tetrahedron 2003, 59, 2561. <http://dx.doi.org/10.1016/S0040-4020(03)00243-6>
• Ohta Katsuhisa, Hasegawa Takayuki, Erko�� Figen, Keskin Nevin, Erko�� ��akir, Ivanovskaya V.V., Enjashin A.N., Sofronov A.A., Makurin Yu.N., Medvedeva N.I., Ivanovskii A.L.: Stability analysis of square-planar methane in excited states. Journal of Molecular Structure: THEOCHEM 2003, 625, 81. <http://dx.doi.org/10.1016/S0166-1280(03)00005-8>
• Lewars E: Orthogonene: A computational study of a strongly twisted alkene. Can J Chem 2003, 81, 1119. <http://dx.doi.org/10.1139/v03-150>
• Tellenbröker Jörg, Kuck Dietmar: Extending the Chemistry of [5.5.5.5]Fenestranes − Eightfold Peripheral Functionalization of Fenestrindanes. Eur J Org Chem 2001, 2001, 1483. <http://dx.doi.org/10.1002/1099-0690(200104)2001:8<1483::AID-EJOC1483>3.0.CO;2-U>
• Wang Zhi-Xiang, Manojkumar Thanathu Krishnan, Wannere Chaitanya, Schleyer Paul von Ragué: A Theoretical Prediction of Potentially Observable Lithium Compounds with Planar Tetracoordinate Carbons. Org Lett 2001, 3, 1249. <http://dx.doi.org/10.1021/ol015573a>
• Clare B.W., Lewars E, Dognon J.-P, Durand S, Granucci G, L��vy B, Milli�� P, Rabbe C: The frontier orbital phase angles: a theoretical interpretation. Journal of Molecular Structure: THEOCHEM 2000, 507, 157. <http://dx.doi.org/10.1016/S0166-1280(99)00383-8>