Search Results

Search criteria:

You may also wish to search for items by Boldyrev, A. and Boldyrev.

59 matching references were found.

Zhai, H.J.; Averkiev, B.B.; Zubarev, D.Y.; Wang, L.S.; Boldyrev, A.I., Delta Aromaticity in [Ta3O3](-), Angew. Chem. Intl. Ed. Eng., 2007, 46, 23, 4277-4280, https://doi.org/10.1002/anie.200700442 . [all data]

Wang, L.M.; Huang, W.; Averkiev, B.B.; Boldyrev, A.I.; Wang, L.S., CB7-: Experimental and theoretical evidence against hypercoordinate planar carbon, Angew. Chem. Intl. Ed. Eng., 2007, 46, 24, 4550-4553, https://doi.org/10.1002/anie.200700869 . [all data]

Li, X.; Zhang, H.F.; Wang, L.S.; Geske, G.D.; Boldyrev, A.I., Pentaatomic tetracoordinate planar carbon, [CAl4](2-): A new structural unit and its salt complexes, Angew. Chem. Intl. Ed. Engl., 2000, 39, 20, 3630-3633, https://doi.org/10.1002/1521-3773(20001016)39:20<3630::AID-ANIE3630>3.0.CO;2-R . [all data]

Galeev, T.R.; Romanescu, C.; Li, W.L.; Wang, L.S.; Boldyrev, A.I., Observation of the Highest Coordination Number in Planar Species: Decacoordinated Ta (c) B10-and Nb (c) B10-Anions, Angew. Chem. Intl. Ed. Engl., 2012, 51, 9, 2101-2105, https://doi.org/10.1002/anie.201107880 . [all data]

Boldyrev, A.I.; Li, X.; Wang, L.S., Experimental observation of pentaatomic tetracoordinate planar Si- and Ge-containing molecules: MAl4- and MAl4, Angew. Chem. Intl. Ed. Engl., 2000, 39, 18, 3307-+, https://doi.org/10.1002/1521-3773(20000915)39:18<3307::AID-ANIE3307>3.0.CO;2-# . [all data]

Li, X.; Zhang, H.-F.; Wang, L.-S.; Kuznetsov, A.E.; Cannon, N.A.; Boldyrev, A.I., Experimental and Theoretical Observations of Aromaticity in Heterocyclic XAl3- (X = Si, Ge, Sn, Pb) Systems, Angew. Chem. Intl. Ed. Engl., 2001, 40, 10, 1867, https://doi.org/10.1002/1521-3773(20010518)40:10<1867::AID-ANIE1867>3.0.CO;2-W . [all data]

Zhai, H.-J.; Alexandrova, A.N.; Birch, K.A.; Boldyrev, A.I.; Wang, L.-S., Hepota- and Octacoordinate Boron in Molecular Wheels of eight and Nine-Atom Boron Clusters: Observation and Confirmation, Angew. Chem.Intl. Ed., 2003, 42, 48, 6004, https://doi.org/10.1002/anie.200351874 . [all data]

Alexandrova, A.N.; Zhai, H.J.; Wang, L.S.; Boldyrev, A.I., Molecular wheel B-8(2-) as a new inorganic ligand. Photoelectron spectroscopy and ab initio characterization of LiB8-, Inorg. Chem., 2004, 43, 12, 3552-3554, https://doi.org/10.1021/ic049706a . [all data]

Li, X.; Wang, L.S.; Boldyrev, A.I.; Simons, J., Tetracoordinated planar carbon in the Al4C- anion. A combined photoelectron spectroscopy and ab initio study, J. Am. Chem. Soc., 1999, 121, 25, 6033-6038, https://doi.org/10.1021/ja9906204 . [all data]

Boldyrev, A.I.; Simons, J.; Li, X.; Wang, L.S., pi- and sigma-coordinated Al in AlC2- and AlCSi-. A combined photoelectron spectroscopy and ab initio study, J. Am. Chem. Soc., 1999, 121, 43, 10193-10197, https://doi.org/10.1021/ja992102z . [all data]

Wang, L.S.; Boldyrev, A.I.; Li, X.; Simons, J., Experimental observation of pentaatomic tetracoordinate planar carbon-containing molecules, J. Am. Chem. Soc., 2000, 122, 32, 7681-7687, https://doi.org/10.1021/ja993081b . [all data]

Kuznetsov, A.E.; Boldyrev, A.I.; Li, X.; Wang, L.S., On the aromaticity of square planar Ga-4(2-) and In-4(2-) in gaseous NaGa4- and NaIn4- clusters, J. Am. Chem. Soc., 2001, 123, 36, 8825-8831, https://doi.org/10.1021/ja0106117 . [all data]

Zhai, H.J.; Yang, X.; Wang, X.B.; Wang, L.S.; Elliott, B.; Boldyrev, A.I., In search of covalently bound tetra- and penta-oxygen species: A photoelectron spectroscopic and ab initio investigation of MO4- and MO5- (M = Li, Na, K, Cs), J. Am. Chem. Soc., 2002, 124, 23, 6742-6750, https://doi.org/10.1021/ja020097k . [all data]

Sergeeva, A.P.; Zubarev, D.Y.; Zhai, H.J.; Boldyrev, A.I.; Wang, L.S., Photoelectron spectroscopic and theoretical study of B-16(-) and B-16(2-): An all-boron naphthalene, J. Am. Chem. Soc., 2008, 130, 23, 7244-+, https://doi.org/10.1021/ja802494z . [all data]

Averkiev, B.B.; Zubarev, D.Y.; Wang, L.M.; Huang, W.; Wang, L.S.; Boldyrev, A.I., Carbon avoids hypercoordination in CB6-, CB62-, and C2B5- planar carbon-boron clusters, J. Am. Chem. Soc., 2008, 130, 29, 9248-+, https://doi.org/10.1021/ja801211p . [all data]

Wang, L.M.; Averkiev, B.B.; Ramilowski, J.A.; Huang, W.; Wang, L.S.; Boldyrev, A.I., Planar to Linear Structural Transition in Small Boron-Carbon Mixed Clusters: CxB5-x- (x=1-5), J. Am. Chem. Soc., 2010, 132, 40, 14104-14112, https://doi.org/10.1021/ja103846q . [all data]

Romanescu, C.; Sergeeva, A.P.; Li, W.L.; Boldyrev, A.I.; Wang, L.S., Planarization of B-7(-) and B-12(-) Clusters by lsoelectronic Substitution: AlB6- and AlB11-, J. Am. Chem. Soc., 2011, 133, 22, 8646-8653, https://doi.org/10.1021/ja2012438 . [all data]

Li, W.L.; Romanescu, C.; Galeev, T.R.; Piazza, Z.A.; Boldyrev, A.I.; Wang, L.S., Transition-Metal-Centered Nine-Membered Boron Rings: M (c) B-9 and M (c) B-9(-) (M = Rh, Ir), J. Am. Chem. Soc., 2012, 134, 1, 165-168, https://doi.org/10.1021/ja209808k . [all data]

Wang, X.B.; Ding, C.F.; Wang, L.S.; Boldyrev, A.I.; Simons, J., First experimental photoelectron spectra of superhalogens and their theoretical interpretations, J. Chem. Phys., 1999, 110, 10, 4763-4771, https://doi.org/10.1063/1.478386 . [all data]

Boldyrev, A.I.; Simons, J.; Li, X.; Chen, W.W.; Wang, L.S., Combined photoelectron spectroscopy and ab initio study of the hypermetallic Al3C molecule, J. Chem. Phys., 1999, 110, 18, 8980-8985, https://doi.org/10.1063/1.478816 . [all data]

Boldyrev, A.I.; Simons, J.; Li, X.; Wang, L.S., The electronic structure and chemical bonding of hypermetallic Al5C by ab initio calculations and anion photoelectron spectroscopy, J. Chem. Phys., 1999, 111, 11, 4993-4998, https://doi.org/10.1063/1.479744 . [all data]

Boldyrev, A.I.; Li, X.; Wang, L.S., Vibrationally resolved photoelectron spectra of CuCN- and AgCN- and ab initio studies of the structure and bonding in CuCN, J. Chem. Phys., 2000, 112, 8, 3627-3632, https://doi.org/10.1063/1.480516 . [all data]

Cannon, N.A.; Boldyrev, A.I.; Li, X.; Wang, L.S., The electronic structure and chemical bonding of aluminum acetylide: Al2C2 and Al2C2-: An experimental and theoretical investigation, J. Chem. Phys., 2000, 113, 7, 2671-2679, https://doi.org/10.1063/1.1305881 . [all data]

Geske, G.D.; Boldyrev, A.I.; Li, X.; Wang, L.S., On the origin of planarity in Al-5(-) and Al-5 clusters: The importance of a four-center peripheral bond, J. Chem. Phys., 2000, 113, 13, 5130-5133, https://doi.org/10.1063/1.1311966 . [all data]

Zhai, H.J.; Wang, L.S.; Alexandrova, A.N.; Boldyrev, A.I., Electronic structure and chemical bonding of B-5(-) and B-5 by photoelectron spectroscopy and ab initio calculations, J. Chem. Phys., 2002, 117, 17, 7917-7924, https://doi.org/10.1063/1.1511184 . [all data]

Alexandrova, A.N.; Boldyrev, A.I.; Fu, Y.-J.; Yang, X.; Wang, X.-B.; Wang, L.-S., Structure of the NaxCl-x+a(x=1-4) clusters via ab initio genetic algorithm and photoelectron spectroscopy, J. Chem. Phys., 2004, 121, 12, 5709, https://doi.org/10.1063/1.1783276 . [all data]

Yang, J.; Xing, X.P.; Wang, X.B.; Wang, L.S.; Sergeeva, A.P.; Boldyrev, A.I., Negative electron binding energies observed in a triply charged anion: Photoelectron spectroscopy of 1-hydroxy-3,6,8-pyrene-trisulfonate, J. Chem. Phys., 2008, 128, 9, 091102, https://doi.org/10.1063/1.2889001 . [all data]

Wang, L.M.; Huang, W.; Wang, L.S.; Averkiev, B.B.; Boldyrev, A.I., Experimental and theoretical investigation of three-dimensional nitrogen-doped aluminum clusters Al8N- and Al8N, J. Chem. Phys., 2009, 130, 13, 134303, https://doi.org/10.1063/1.3097761 . [all data]

Sergeeva, A.P.; Averkiev, B.B.; Zhai, H.J.; Boldyrev, A.I.; Wang, L.S., All-boron analogues of aromatic hydrocarbons: B-17(-) and B-18(-), J. Chem. Phys., 2011, 134, 22, 224304, https://doi.org/10.1063/1.3599452 . [all data]

Galeev, T.R.; Romanescu, C.; Li, W.L.; Wang, L.S.; Boldyrev, A.I., Valence isoelectronic substitution in the B-8(-) and B-9(-) molecular wheels by an Al dopant atom: Umbrella-like structures of AlB7- and AlB8-, J. Chem. Phys., 2011, 135, 10, 104301, https://doi.org/10.1063/1.3625959 . [all data]

Piazza, Z.A.; Li, W.L.; Romanescu, C.; Sergeeva, A.P.; Wang, L.S.; Boldyrev, A.I., A photoelectron spectroscopy and ab initio study of B21(-): Negatively charged boron clusters continue to be planar at 21, J. Chem. Phys., 2012, 136, 10, 104310, https://doi.org/10.1063/1.3692967 . [all data]

Alexandrova, A.N.; Boldyrev, A.I.; Zhai, H.J.; Wang, L.S.; Steiner, E.; Fowler, P.W., Structure and bonding in B6(-) and B6: Planarity and antiaromaticity, J. Phys. Chem. A, 2003, 107, 9, 1359-1369, https://doi.org/10.1021/jp0268866 . [all data]

Zhai, H.J.; Wang, L.S.; Alexandrova, A.N.; Boldyrev, A.I., Photoelectron spectroscopy and ab initio study of B-3(-) and B-4(-) anions and their neutrals, J. Phys. Chem. A, 2003, 107, 44, 9319-9328, https://doi.org/10.1021/jp0357119 . [all data]

Alexandrova, A.N.; Boldyrev, A.I.; Zhai, H.-J.; Wang, L.-S., Electronic Structure, Isomerism, and Chemical Bonding in B7- and B7, J. Phys. Chem. A, 2004, 108, 16, 3509, https://doi.org/10.1021/jp037341u . [all data]

Elliot, B.M.; Koyle, E.; Boldyrev, A.I.; Wang, X.-B.; Wang, L.-S., MX3- Superhalogens (B = Be, Mg, Ca; X = Cl, Br): A photoelectron Spectroscopic and an initio Theoretical Study, J. Phys. Chem. A, 2005, 109, 50, 11560, https://doi.org/10.1021/jp054036v . [all data]

Zhai, H.J.; Wang, L.S.; Zubarev, D.Y.; Boldyrev, A.I., Gold apes hydrogen. The structure and bonding in the planar B7Au2- and B7Au2 clusters, J. Phys. Chem. A, 2006, 110, 5, 1689-1693, https://doi.org/10.1021/jp0559074 . [all data]

Averkiev, B.B.; Boldyrev, A.I.; Li, X.; Wang, L.S., Probing the structure and bonding in Al6N- and Al6N by photoelectron spectroscopy and ab initio calculations, J. Phys. Chem. A, 2007, 111, 1, 34-41, https://doi.org/10.1021/jp066747e . [all data]

Averkiev, B.B.; Call, S.; Boldyrev, A.I.; Wang, L.M.; Huang, W.; Wang, L.S., Photoelectron spectroscopy and Ab initio study of the structure and bonding of Al7N- and Al7N, J. Phys. Chem. A, 2008, 112, 9, 1873-1879, https://doi.org/10.1021/jp7106236 . [all data]

Wang, X.B.; Sergeeva, A.P.; Yang, J.; Xing, X.P.; Boldyrev, A.I.; Wang, L.S., Photoelectron Spectroscopy of Cold Hydrated Sulfate Clusters, SO42-(H2O)(n) (n=4-7): Temperature-Dependent Isomer Populations, J. Phys. Chem. A, 2009, 113, 19, 5567-5576, https://doi.org/10.1021/jp900682g . [all data]

Wang, H.P.; Ko, Y.J.; Bowen, K.H.; Sergeeva, A.P.; Averkiev, B.B.; Boldyrev, A.I., Combined Experimental and Theoretical Investigation of Three-Dimensional, Nitrogen-Doped, Gallium Cluster Anions, J. Phys. Chem. A, 2010, 114, 42, 11070-11077, https://doi.org/10.1021/jp101419b . [all data]

Li, W.-L.; Romanescu, C.; Galeev, T.R.; Wng, L.-S.; Boldyrev, A.I., Alumnium Avoids the Central Position in AlB9- and AlB10-: Photoelectron Spectroscopy and ab Initio Study, J. Phys. Chem. A, 2011, 115, 38, 10391-10397, https://doi.org/10.1021/jp205873g . [all data]

Averkiev, B.B.; Wang, L.M.; Huang, W.; Wang, L.S.; Boldyrev, A.I., Experimental and theoretical investigations of CB8-: towards rational design of hypercoordinated planar chemical species, Phys. Chem. Chem. Phys., 2009, 11, 42, 9840-9849, https://doi.org/10.1039/b908973j . [all data]

Alexandrova, A.N.; Boldyrev, A.I.; Zhai, H.-J.; Wang, L.-S.; Steiner, E.; Fowler, P.W., Structure and Bonding in B, J. Phys. Chem. A, 2003, 107, 9, 1359, https://doi.org/10.1021/jp0268866 . [all data]

Boldyrev, A.I.; Li, X.; Wang, L.-S., Vibrationally resolved photoelectron spectra of CuCN- and AgCN- and ab initio studies of the structure and bonding in CuCN, J. Chem. Phys., 2000, 112, 8, 3627, https://doi.org/10.1063/1.480516 . [all data]

Boldyrev, A.I.; Li, X.; Wang, L.-S., "Napoleon Hat" Structure of Tetraatomic Molecules. A Combined Photoelectron Spectroscopy and Ab Initio Study of CAlSi, J. Phys. Chem. A, 2000, 104, 22, 5358, https://doi.org/10.1021/jp000262n . [all data]

Boldyrev, A.I.; Li, X.; Wang, L.-S., Experimental Observation of Pentaatomic Tetracoordinate Planar Si- and Ge-Containing Molecules: MAl4- and MAl4, Angew. Chem. Int. Ed., 2000, 39, 18, 3307, https://doi.org/10.1002/1521-3773(20000915)39:18<3307::AID-ANIE3307>3.0.CO;2-# . [all data]

Boldyrev, A.I.; Simons, J.; Li, X.; Wang, L.-S., π- and σ-Coordinated Al in AlC, J. Am. Chem. Soc., 1999, 121, 43, 10193, https://doi.org/10.1021/ja992102z . [all data]

Boldyrev, A.I.; Simons, J.; Li, X.; Wang, L.-S., The electronic structure and chemical bonding of hypermetallic Al[sub 5]C by ab initio calculations and anion photoelectron spectroscopy, J. Chem. Phys., 1999, 111, 11, 4993, https://doi.org/10.1063/1.479744 . [all data]

Boldyrev, A.I.; Simons, J.; Li, X.; Chen, W.; Wang, L.-S., Combined photoelectron spectroscopy and ab initio study of the hypermetallic Al[sub 3]C molecule, J. Chem. Phys., 1999, 110, 18, 8980, https://doi.org/10.1063/1.478816 . [all data]

Cannon, N.A.; Boldyrev, A.I.; Li, X.; Wang, L.-S., The electronic structure and chemical bonding of aluminum acetylide: Al[sub 2]C[sub 2] and Al[sub 2]C[sub 2][sup -]: An experimental and theoretical investigation, J. Chem. Phys., 2000, 113, 7, 2671, https://doi.org/10.1063/1.1305881 . [all data]

Geske, G.D.; Boldyrev, A.I.; Li, X.; Wang, L.-S., On the origin of planarity in Al[sub 5][sup -] and Al[sub 5] clusters: The importance of a four-center peripheral bond, J. Chem. Phys., 2000, 113, 13, 5130, https://doi.org/10.1063/1.1311966 . [all data]

Li, X.; Wang, L.-S.; Boldyrev, A.I.; Simons, J., Tetracoordinated Planar Carbon in the Al, J. Am. Chem. Soc., 1999, 121, 25, 6033, https://doi.org/10.1021/ja9906204 . [all data]

Li, X.; Wang, L.-S.; Cannon, N.A.; Boldyrev, A.I., Electronic structure and chemical boning in nonstoichiometric molecules: Al[sub 3]X[sub 2][sup -](X=C,Si,Ge). A photoelectron spectroscopy and ab initio study, J. Chem. Phys., 2002, 116, 4, 1330, https://doi.org/10.1063/1.1429652 . [all data]

Wang, L.-S.; Boldyrev, A.I.; Li, X.; Simons, J., Experimental Observation of Pentaatomic Tetracoordinate Planar Carbon-Containing Molecules, J. Am. Chem. Soc., 2000, 122, 32, 7681, https://doi.org/10.1021/ja993081b . [all data]

Wang, X.-B.; Ding, C.-F.; Wang, L.-S.; Boldyrev, A.I.; Simons, J., First experimental photoelectron spectra of superhalogens and their theoretical interpretations, J. Chem. Phys., 1999, 110, 10, 4763, https://doi.org/10.1063/1.478386 . [all data]

Yokoyama, K.; Leach, G.W.; Kim, J.B.; Lineberger, W.C.; Boldyrev, A.I.; Gutowski, M., Autodetachment spectroscopy and dynamics of vibrationally excited dipole-bound states of H2CCC-, J. Chem. Phys., 1996, 105, 24, 10706, https://doi.org/10.1063/1.472879 . [all data]

Zhai, H.-J.; Wang, L.-S.; Alexandrova, A.N.; Boldyrev, A.I., Electronic structure and chemical bonding of B[sub 5]-] and B[sub 5] by photoelectron spectroscopy and ab initio calculations, J. Chem. Phys., 2002, 117, 17, 7917, https://doi.org/10.1063/1.1511184 . [all data]

Zhai, H.-J.; Wang, L.-S.; Alexandrova, A.N.; Boldyrev, A.I.; Zakrzewski, V.G., Photoelectron Spectroscopy and ab Initio Study of B, J. Phys. Chem. A, 2003, 107, 44, 9319, https://doi.org/10.1021/jp0357119 . [all data]

Zhai, H.-J.; Wang, L.-S.; Kuznetsov, A.E.; Boldyrev, A.I., Probing the Electronic Structure and Aromaticity of Pentapnictogen Cluster Anions Pn, J. Phys. Chem. A, 2002, 106, 23, 5600, https://doi.org/10.1021/jp020115k . [all data]