Structures – Polygons (Planarity or Quasi-Planarity)

A Concentric Planar Doubly p Aromatic B19– Cluster

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

Nature Chem. 2, 202-206 (2010).  318.pdf

 

 

 

 

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

  1. P. Sergeeva, D. Y. Zubarev, H. J. Zhai, A. I. Boldyrev, andL. S. Wang  J. Am. Chem. Soc.130, 7244-7246 (2008).  281.pdf

 

 

 

 

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

  1. J. Zhai, B. Kiran, J. Li, andL. S. Wang

Nature Materials 2, 827-833 (2003).  169.pdf

 

 

 

 

 

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

  1. J. Zhai, A. N. Alexandrova, K. A. Birch, A. I. Boldyrev, andL. S. Wang

Angew. Chem. Int. Ed. 42, 6004-6008 (2003); Angew. Chem. 115, 6186-8190 (2003).  170.pdf

 

 

 

 

 

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

  1. N. Alexandrova, A. I. Boldyrev, H. J. Zhai, andL. S. Wang  J. Phys. Chem. A108, 3509-3517 (2004).  175.pdf

 

 

 

 

Structure and Bonding in B6– and B6: Planarity and Antiaromaticity

  1. N. Alexandrova, A. I. Boldyrev, H. J. Zhai,L. S. Wang,E. Steiner, and P. W. Fowler  J. Phys. Chem. A107, 1359-1369 (2003).  154.pdf

 

 

 

 

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

  1. H. Zhai,L. S. Wang, A. N. Alexandrova, A. I. Boldyrev, V. G. Zakrzewski  J. Phys. Chem. A107, 9319-9328 (2003).  166.pdf

 

 

 

 

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

  1. 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).  284.pdf

 

 

 

 

 

CB7–: Experimental and Theoretical Evidence Against Hypercoordinated Planar Carbon

  1. M. Wang, W. Huang, B. B. Averkiev, A. I. Boldyrev, andL. S. Wang

Angew. Chem. Int. Ed. 46, 4550-4553 (2007).  Angew. Chem. 119, 4634-4637 (2007).  261.pdf

 

 

 

 

 

The Structure and Bonding in the Planar B7Au2– and B7Au2 Clusters

  1. J. Zhai,L. S. Wang, D. Y. Zubarev, and A. I. Boldyrev  J. Phys. Chem. A110, 1689-1693 (2006).  223.pdf

 

 

 

 

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

  1. Li, B. Kiran, L. F. Cui, andL. S. Wang

Phys. Rev. Lett. 95, 253401 (2005).  218.pdf

 

 

 

 

Planar Nitrogen-Doped Aluminum Clusters AlxN– (x = 3−5)

  1. Averkiev, A. I. Boldyrev, X. Li, andL. S. Wang   J. Chem. Phys.125, 124305-1-12 (2006).  242.pdf

 

 

 

 

d-Aromaticity in Ta3O3–

  1. 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).  260.pdf

 

 

 

 

 

Observation of d-Orbital Aromaticity

  1. Huang, H. J. Zhai, B. Kiran, andL. S. Wang

Angew. Chem. Int. Ed. 44, 7251-7254 (2005).  Angew. Chem. 117, 7417-7420 (2005).  211.pdf

 

 

 

 

 

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

  1. Wang, H. J. Zhai, X. Huang,andL. S. Wang  J.Chys. Chem. A112, 10962-10967 (2008).  288.pdf

 

 

 

 

Cu3C4– – A New Sandwich Molecule with Two Revolving C22– Units

  1. N. Alexandrova, A. I. Boldyrev, H. J. Zhai, andL. S. Wang  J.Phys. Chem. A109, 562-570 (2005).  197.pdf

 

 

 

 

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

  1. M. Elliott, E. Koyle, A. I. Boldyrev, X. B. Wang, andL. S. Wang   J.Phys. Chem. A109, 11560-11567 (2005).  217.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

  1. J. Zhai,L. S. Wang, A. E. Kuznetsov, and A. I. Boldyrev  J. Phys. Chem. A106, 5600-5606 (2002).  137.pdf

 

 

 

 

Aromatic Mercury Clusters in Ancient Amalgams

  1. 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).  124.pdf

 

 

 

 

 

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

  1. E. Kuznetsov, A. I. Boldyrev, X. Li, andL. S. Wang    J. Am. Chem. Soc.123, 8825-8831 (2001).  123.pdf

 

 

 

 

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

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

Science 300, 622-625 (2003).  158.pdf

 

 

 

 

 

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

  1. 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).    110.pdf

 

 

 

 

 

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

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

Angew. Chem. Int. Ed. 39, 3307-3310 (2000); Angew. Chem. 112, 3445-3448 (2000).  108.pdf

 

 

 

 

 

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

  1. 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)  118.pdf

 

 

 

 

 

Experimental Observation of Pentaatomic Tetracoordinated Planar Carbon Containing Molecules

  1. S. Wang, A. I. Boldyrev, X. Li, and J. Simons  J. Am. Chem. Soc.122, 7681-7687 (2000).  106.pdf

 

 

 

 

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

  1. Li,L. S. Wang, A. I. Boldyrev, and J. Simons  J. Am. Chem. Soc.121, 6033-6038 (1999).  76.pdf

 

 

 

 

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

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

Phys. Rev. B 53, 8028-8031 (1996).  37.pdf