Structures - Polygons (Planarity or Quasi-Planarity)

 

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A Concentric Planar Doubly p Aromatic B19 Cluster

W. Huang, A. P. Sergeeva, H. J. Zhai, B. B. Averkiev, L. S. Wang, and A. I. Boldyrev

Nature Chem. 2, 202-206 (2010). [PDF]

 

 

 

 

 

 

A Photoelectron Spectroscopic and Theoretical Study of B16 and B162–: An All-Boron Naphthalene

A. P. Sergeeva, D. Y. Zubarev, H. J. Zhai, A. I. Boldyrev, and L. S. Wang

J. Am. Chem. Soc. 130, 7244-7246 (2008). [PDF]

 

 

 

 

 

 

Hydrocarbon Analogs of Boron Clusters: Planarity, Aromaticity, and Antiaromaticity

H. J. Zhai, B. Kiran, J. Li, and L. S. Wang

Nature Materials 2, 827-833 (2003). [PDF]

 

 

 

 

 

 

Hepta- and Octa-Coordinated Boron in Molecular Wheels of 8- and 9-Atom Boron Clusters: Observation and Confirmation

H. J. Zhai, A. N. Alexandrova, K. A. Birch, A. I. Boldyrev, and L. S. Wang

Angew. Chem. Int. Ed. 42, 6004-6008 (2003); Angew. Chem. 115, 6186-8190 (2003). [PDF]

 

 

 

 

 

Electronic Structure, Isomerism, and Chemical Bonding in B7 and B7 

A. N. Alexandrova, A. I. Boldyrev, H. J. Zhai, and L. S. Wang

J. Phys. Chem. A 108, 3509-3517 (2004). [PDF]

 

 

 

 

 

 

 

 

Structure and Bonding in B6 and B6: Planarity and Antiaromaticity

A. N. Alexandrova, A. I. Boldyrev, H. J. Zhai, L. S. Wang, E. Steiner, and P. W. Fowler

J. Phys. Chem. A 107, 1359-1369 (2003). [PDF]

 

 

 

 

 

 

A Photoelectron Spectroscopy and Ab Initio Study of B3 and B4 Anions and Their Neutrals

Z. H. Zhai, L. S. Wang, A. N. Alexandrova, A. I. Boldyrev, V. G. Zakrzewski

J. Phys. Chem. A 107, 9319-9328 (2003). [PDF]

 

 

 

 

 

 

Carbon Avoids Hyper Coordination in CB6, CB62–, and C2B5 Planar Carbon-Boron Clusters

B. B. Averkiev, D. Yu. Zubarev, L. M. Wang, W. Huang, L. S. Wang, and A. I. Boldyrev

J. Am. Chem. Soc. 130, 9248-9250 (2008). [PDF]

 

 

 

 

 

CB7: Experimental and Theoretical Evidence Against Hypercoordinated Planar Carbon

L. M. Wang, W. Huang, B. B. Averkiev, A. I. Boldyrev, and L. S. Wang

Angew. Chem. Int. Ed. 46, 4550-4553 (2007).  Angew. Chem. 119, 4634-4637 (2007). [PDF]

 

 

 

 

 

 

The Structure and Bonding in the Planar B7Au2 and B7Au2 Clusters

H. J. Zhai, L. S. Wang, D. Y. Zubarev, and A. I. Boldyrev

J. Phys. Chem. A 110, 1689-1693 (2006). [PDF]

 

 

 

 

 

 

 

Magnetic Properties in Transition Metal Doped Gold Clusters: M@Au6 (M = Ti, V, Cr)

X. Li, B. Kiran, L. F. Cui, and L. S. Wang

Phys. Rev. Lett. 95, 253401 (2005). [PDF]

 

 

 

 

 

 

Planar Nitrogen-Doped Aluminum Clusters AlxN (x = 35)

B. Averkiev, A. I. Boldyrev, X. Li, and L. S. Wang

J. Chem. Phys. 125, 124305-1-12 (2006). [PDF]

 

 

 

 

 

 

d-Aromaticity in Ta3O3 

H. J. Zhai, B. B. Averkiev, D. Y. Zubarev, L. S. Wang, A. I. Boldyrev

Angew. Chem. Int. Ed. 46, 4277-4280 (2007).  Angew. Chem. 119, 4355-4358 (2007). [PDF]

 

 

 

 

 

 

Observation of d-Orbital Aromaticity

X. Huang, H. J. Zhai, B. Kiran, and L. S. Wang

Angew. Chem. Int. Ed. 44, 7251-7254 (2005).  Angew. Chem. 117, 7417-7420 (2005). [PDF]

 

 

 

 

 

 

On the Electronic Structure and Chemical Bonding in the Tantalum Trimer Cluster

B. Wang, H. J. Zhai, X. Huang, and L. S. Wang

J. Phys. Chem. A 112, 10962-10967 (2008). [PDF]

 

 

 

 

 

 

Cu3C4 - A New Sandwich Molecule with Two Revolving C22 Units

A. N. Alexandrova, A. I. Boldyrev, H. J. Zhai, and L. S. Wang

J. Phys. Chem. A 109, 562-570 (2005). [PDF]

 

 

 

 

 

 

The MX3- Superhalogens (M = Be, Mg, Ca; X = Cl, Br): A Photoelectron Spectroscopic and Ab Initio Theoretical Study

B. M. Elliott, E. Koyle, A. I. Boldyrev, X. B. Wang, and L. S. Wang

J. Phys. Chem. A 109, 11560-11567 (2005). [PDF]

 

 

 

 

 

 

Probing the Electronic Structure and Aromaticity of Pentapnictogen Cluster Anions Pn5 (Pn = P, As, Sb, and Bi) Using Photoelectron Spectroscopy and Ab Initio Calculations

H. J. Zhai, L. S. Wang, A. E. Kuznetsov, and A. I. Boldyrev

J. Phys. Chem. A 106, 5600-5606 (2002). [PDF]

 

 

 

 

 

 

Aromatic Mercury Clusters in Ancient Amalgams

A. E. Kuznetsov, J. D. Corbett, L. S. Wang, and A. I. Boldyrev

Angew. Chem. Int. Ed. 40, 3369-3372 (2001); Angew. Chem. 113, 3473-3476 (2001). [PDF]

 

 

 

 

 

 

On the Aromaticity of Square Planar Ga42 and In42 in Gaseous NaGa4 and NaIn4 Clusters

A. E. Kuznetsov, A. I. Boldyrev, X. Li, and L. S. Wang

J. Am. Chem. Soc. 123, 8825-8831 (2001).  [PDF]

 

 

 

 

 

 

All-Metal Antiaromatic Molecule: Rectangular Al44 in the Li3Al4 Anion

A. E. Kuznetsov, K. A. Birch, A. I. Boldyrev, X. Li, H. J. Zhai, and L. S. Wang

Science 300, 622-625 (2003). [PDF] 

 

 

 

 

 

Pentaatomic Tetracoordinate Planar Carbon, [CAl4]2: A New Chemistry Structural Unit and Its Salt Complexes

X. Li, H. F. Zhang, L. S. Wang, G. D. Geske, and A. I. Boldyrev

Angew. Chem. Int. Ed. 39, 3630-3633 (2000); Angew. Chem. 112, 3776-3778 (2000).  [PDF]

 

 

 

 

 

 

 

Experimental Observation of Pentaatomic Tetracoordinate Planar Si- and Ge-Containing Molecules: MAl4 and MAl4 (M = Si, Ge)

A. I. Boldyrev, X. Li, L. S. Wang

Angew. Chem. Int. Ed. 39, 3307-3310 (2000); Angew. Chem. 112, 3445-3448 (2000). [PDF] 

 

 

 

 

 

 

Experimental and Theoretical Observations of Aromaticity in Hetero-cyclic XAl3 (X = Si, Ge, Sn, Pb) Systems

X. Li, H. F. Zhang, L. S. Wang, A. E. Kuznetsov, N. A. Cannon and A. I. Boldyrev

Angew. Chem. Int. Ed. 40, 1867-1870 (2001);  Angew. Chem. 113, 1919-1922 (2001) [PDF]

 

 

 

 

 

 

Experimental Observation of Pentaatomic Tetracoordinated Planar Carbon Containing Molecules

L. S. Wang, A. I. Boldyrev, X. Li, and J. Simons

J. Am. Chem. Soc. 122, 7681-7687 (2000). [PDF]

 

 

 

 

 

 

Tetracoordinated Planar Carbon in the Al4C Anion.  A Combined Photoelectron Spectroscopy and Ab Initio Study

X. Li, L. S. Wang, A. I. Boldyrev, and J. Simons

J. Am. Chem. Soc. 121, 6033-6038 (1999). [PDF] 

 

 

 

 

 

 

 Electronic Structure of Small Copper Oxide Clusters: From Cu2O to Cu2O4

L. S. Wang, H. Wu, S. R. Desai, and L. Lou

Phys. Rev. B 53, 8028-8031 (1996). [PDF]