Lester Andrews

Summary

Affiliation: University of Virginia
Country: USA

Publications

  1. ncbi Chirality, agostic interactions, and pyramidality in actinide methylidene complexes
    Jun Li
    Department of Chemistry and Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University, Beijing 100084, China
    Angew Chem Int Ed Engl 46:9045-9. 2007
  2. ncbi Infrared spectrum of the novel electron-deficient BH(4) radical in solid neon
    Lester Andrews
    Department of Chemistry, University of Virginia, P O Box 400319, Charlottesville, Virginia 22904 4319, USA
    J Am Chem Soc 124:7280-1. 2002
  3. ncbi Reactions of Th and U atoms with C2H2: infrared spectra and relativistic calculations of the metallacyclopropene, actinide insertion, and ethynyl products
    Lester Andrews
    Department of Chemistry, P O Box 400319, University of Virginia, Charlottesville, VA 22904 4319, USA
    Chemistry 12:8324-35. 2006
  4. ncbi Infrared spectra of the group 2 metal dihydroxide molecules
    Lester Andrews
    Department of Chemistry, P O Box 400319, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    Inorg Chem 44:11-3. 2005
  5. ncbi A discharge investigation of hydrogen and deuterium atom formation, and parahydrogen and orthodeuterium reconversion
    Lester Andrews
    Department of Chemistry University of Virginia, Charlottesville, Virginia 22904 4319, USA
    J Chem Phys 121:4724-9. 2004
  6. doi As[triple bond]UF3 molecule with a weak triple bond to uranium
    Lester Andrews
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    Inorg Chem 48:6594-8. 2009
  7. ncbi Infrared spectra and structures of the stable CuH(2)(-), AgH(2)(-), AuH(2)(-), and AuH(4)(-) anions and the AuH(2) molecule
    Lester Andrews
    Department of Chemistry, University of Virginia, McCormick Road, PO Box 400319, Charlottesville, Virginia 22904 4319, USA
    J Am Chem Soc 125:11751-60. 2003
  8. ncbi The infrared spectrum of Al2H6 in solid hydrogen
    Lester Andrews
    Department of Chemistry, University of Virginia, Post Office Box 400319, Charlottesville, VA 22904 4319, USA
    Science 299:2049-52. 2003
  9. ncbi Noble gas-actinide complexes of the CUO molecule with multiple Ar, Kr, and Xe atoms in noble-gas matrices
    Lester Andrews
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    J Am Chem Soc 125:3126-39. 2003
  10. doi Reactions of laser-ablated U atoms with (CN)2: infrared spectra and electronic structure calculations of UNC, U(NC)2, and U(NC)4 in solid argon
    Yu Gong
    University of Virginia, Department of Chemistry, Charlottesville, VA 22904 4319, USA
    Chem Commun (Camb) 51:3899-902. 2015

Collaborators

  • Jun Li
  • Han Gook Cho
  • Björn O Roos
  • Joaquim Marçalo
  • Xuefeng Wang
  • Yu Gong
  • David A Dixon
  • Mingyang Chen
  • Bess Vlaisavljevich
  • Zongtang Fang
  • K Sahan Thanthiriwatte
  • Binyong Liang
  • Sebastian Riedel
  • Charles W Bauschlicher
  • Laura Gagliardi
  • Tanya C Mikulas
  • Kirk A Peterson
  • Tanya Mikulas
  • Alexander B Baker
  • Bruce E Bursten
  • Gary P Kushto
  • Edward B Garner
  • Benjamin K Liebov
  • Thomas Vent-Schmidt
  • Jens Metzger
  • Knut Willmann
  • Virgil E Jackson
  • Tobias Schlöder
  • Felix Brosi
  • Dongxia Ma
  • Benjamin Villeroy
  • Han Shi Hu
  • Cláudia C L Pereira
  • Claude Godart
  • António P Gonçalves
  • Ivan Infante
  • Colin J Marsden
  • Marta Knitter
  • Per Ake Malmqvist
  • Jonathan T Lyon

Detail Information

Publications53

  1. ncbi Chirality, agostic interactions, and pyramidality in actinide methylidene complexes
    Jun Li
    Department of Chemistry and Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University, Beijing 100084, China
    Angew Chem Int Ed Engl 46:9045-9. 2007
  2. ncbi Infrared spectrum of the novel electron-deficient BH(4) radical in solid neon
    Lester Andrews
    Department of Chemistry, University of Virginia, P O Box 400319, Charlottesville, Virginia 22904 4319, USA
    J Am Chem Soc 124:7280-1. 2002
    ..NBO analysis suggests that the two long B-H bonds and the H- -H bond are one-electron bonds...
  3. ncbi Reactions of Th and U atoms with C2H2: infrared spectra and relativistic calculations of the metallacyclopropene, actinide insertion, and ethynyl products
    Lester Andrews
    Department of Chemistry, P O Box 400319, University of Virginia, Charlottesville, VA 22904 4319, USA
    Chemistry 12:8324-35. 2006
    ..The ThCCH and UCCH actinide ethynyl products are also observed and characterized by C[triple bond]C stretching modes 38+/-2 cm(-1) lower than acetylene itself...
  4. ncbi Infrared spectra of the group 2 metal dihydroxide molecules
    Lester Andrews
    Department of Chemistry, P O Box 400319, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    Inorg Chem 44:11-3. 2005
    ..The stepwise decrease in the O-H stretching modes in this chemical family demonstrates an increase in ionic character, which parallels the increase in base strength for the analogous solid compounds...
  5. ncbi A discharge investigation of hydrogen and deuterium atom formation, and parahydrogen and orthodeuterium reconversion
    Lester Andrews
    Department of Chemistry University of Virginia, Charlottesville, Virginia 22904 4319, USA
    J Chem Phys 121:4724-9. 2004
    ..The observed increase in induced HD absorption by J = 1, H2 and D2 molecules formed on recombination gives approximately 1% for the H[D] atom concentration in our solid HD samples...
  6. doi As[triple bond]UF3 molecule with a weak triple bond to uranium
    Lester Andrews
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    Inorg Chem 48:6594-8. 2009
    ..The latter calculation describes a weak triple bond to uranium in the As[triple bond]UF(3) molecule, which has slightly less bonding and more antibonding character than the weak triple bond in P[triple bond]UF(3)...
  7. ncbi Infrared spectra and structures of the stable CuH(2)(-), AgH(2)(-), AuH(2)(-), and AuH(4)(-) anions and the AuH(2) molecule
    Lester Andrews
    Department of Chemistry, University of Virginia, McCormick Road, PO Box 400319, Charlottesville, Virginia 22904 4319, USA
    J Am Chem Soc 125:11751-60. 2003
    ..The observation of square-planar AuH(4)(-) attests the stability of the higher Au(III) oxidation state for gold. The synthesis of CuH(2)(-) in solid compounds has potential for use in hydrogen storage...
  8. ncbi The infrared spectrum of Al2H6 in solid hydrogen
    Lester Andrews
    Department of Chemistry, University of Virginia, Post Office Box 400319, Charlottesville, VA 22904 4319, USA
    Science 299:2049-52. 2003
    ..The Al2H6 molecule is identified by seven new infrared absorptions that are accurately predicted by quantum chemical calculations for dibridged Al2H6, a molecule that is isostructural with diborane...
  9. ncbi Noble gas-actinide complexes of the CUO molecule with multiple Ar, Kr, and Xe atoms in noble-gas matrices
    Lester Andrews
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    J Am Chem Soc 125:3126-39. 2003
    ..This work provides the first evidence for noble gas-actinide complexes, and the first example of neutral complexes with four noble gas atoms bonded to one metal center...
  10. doi Reactions of laser-ablated U atoms with (CN)2: infrared spectra and electronic structure calculations of UNC, U(NC)2, and U(NC)4 in solid argon
    Yu Gong
    University of Virginia, Department of Chemistry, Charlottesville, VA 22904 4319, USA
    Chem Commun (Camb) 51:3899-902. 2015
    ..Mixed isotopic multiplets substantiate product stoichiometries. Band positions and quantum chemical calculations verify the isocyanide bonding. ..
  11. doi Infrared spectra and electronic structure calculations for the NUN(NN)1-5 and NU(NN)1-6 complexes in solid argon
    Lester Andrews
    Department of Chemistry, University of Virginia, P O Box 400319, Charlottesville, Virginia 22904 4319, United States
    Inorg Chem 52:9989-93. 2013
    ....
  12. doi Thorium fluorides ThF, ThF2, ThF3, ThF4, ThF3(F2), and ThF5- characterized by infrared spectra in solid argon and electronic structure and vibrational frequency calculations
    Lester Andrews
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    Inorg Chem 52:8228-33. 2013
    ..This paper reports the first evidence for novel pentacoordinated thorium species including the unique [ThF3(+)][F2(-)] ionic radical-ion pair molecule and its electron-capture product, the very stable ThF5(-) anion. ..
  13. doi Matrix infrared spectra and theoretical studies of thorium oxide species: ThOx and Th2Oy
    Lester Andrews
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, United States
    J Phys Chem A 115:14407-16. 2011
    ..It is predicted to have a doublet ground state with a geometry similar to that of the neutral ThO(2) molecule. Electronic structure calculations on the unobserved Th(2)O and Th(2)O(3) molecules are also provided...
  14. ncbi Matrix infrared spectra and density functional calculations of transition metal hydrides and dihydrogen complexes
    Lester Andrews
    Department of Chemistry, University of Virginia, P O Box 400319, Charlottesville, VA 22904 4319, USA
    Chem Soc Rev 33:123-32. 2004
    ..104 references are cited...
  15. ncbi Infrared spectra of indium hydrides in solid hydrogen and of solid indane
    Lester Andrews
    Department of Chemistry, University of Virginia, Charlottesville, VA 22904 4319, USA
    Angew Chem Int Ed Engl 43:1706-9. 2004
  16. doi Infrared spectra and density functional theory calculations of group 10 transition metal sulfide molecules and complexes
    Binyong Liang
    Department of Chemistry, University of Virginia, P O Box 400319, Charlottesville, Virginia 22904 4319, USA
    J Phys Chem A 113:3336-43. 2009
    ..A weak 491.7 cm(-1) peak exhibits the sulfur-34 shift expected for PtS, and this assignment follows...
  17. doi Reactions of group 3 metals with OF2: infrared spectroscopic and theoretical investigations of the group 3 oxydifluoride OMF2 and oxyfluoride OMF molecules
    Yu Gong
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    J Phys Chem A 116:10115-21. 2012
    ..Fluorine transfer from OF(2) to metal centers is predicted to be highly exothermic, which is very favorable for the formation of new OMF(2) and OMF species...
  18. doi Infrared spectra and density functional theory calculations of group 8 transition metal sulfide molecules
    Binyong Liang
    Department of Chemistry, University of Virginia, P O Box 400319, Charlottesville, Virginia 22904 4319, USA
    J Phys Chem A 113:5375-84. 2009
    ..Although OsO(4) is a well-known molecule, this, we believe, is the first experimental observation of OsS(4)...
  19. doi Detection and Electronic Structure of Naked Actinide Complexes: Rhombic-Ring (AnN)2 Molecules Stabilized by Delocalized π-Bonding
    Bess Vlaisavljevich
    Department of Chemistry, University of Minnesota and Supercomputing Institute, 207 Pleasant St SE, Minneapolis, Minnesota 55455 0431, United States
    J Am Chem Soc 138:893-905. 2016
    ..The NThN molecules bind more strongly in the (NThN)2 dimer than the NUN molecules in (NUN)2 since NUN itself is more stable than NThN. ..
  20. doi Infrared spectra and electronic structure calculations for NN complexes with U, UN, and NUN in solid argon, neon, and nitrogen
    Lester Andrews
    Department of Chemistry, Box 400319, University of Virginia, Charlottesville, Virginia 22904 4319, United States
    J Phys Chem A 118:5289-303. 2014
    ..Codeposition of U with pure nitrogen produced the saturated U(NN)7 complex, which UV irradiation converted to the NUN(NN)5 complex with slightly lower frequencies than found in solid argon. ..
  21. doi Infrared spectroscopic and theoretical studies of the OTiF2, OZrF2 and OHfF2 molecules with terminal oxo ligands
    Yu Gong
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    Dalton Trans 41:11706-15. 2012
    ..Finally, the formation of group 4 OMF(2) molecules is highly exothermic due to the weak O-F bonds in OF(2) as well as the strong new MO and M-F bonds formed...
  22. doi Reactions of late lanthanide metal atoms and methanol in solid argon: a matrix isolation infrared spectroscopic and theoretical study
    Yu Gong
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    J Phys Chem A 115:14581-92. 2011
    ..Although the CH(3)LnOH molecules are predicted to be more stable than the O-H bond insertion products, formation of the C-O bond insertion isomers is kinetically prohibited as revealed by calculated potential energy surfaces...
  23. doi Properties of Cerium Hydroxides from Matrix Infrared Spectra and Electronic Structure Calculations
    Zongtang Fang
    Department of Chemistry, The University of Alabama, Box 870223, Tuscaloosa, Alabama 34487 0336, United States
    Inorg Chem 55:1702-14. 2016
    ..The major products in this study are different from similar reactions for Th where the tetrahydroxide was the major species. ..
  24. doi Structures and Properties of the Products of the Reaction of Lanthanide Atoms with H2O: Dominance of the +II Oxidation State
    Tanya C Mikulas
    Department of Chemistry, The University of Alabama, Shelby Hall, Tuscaloosa, Alabama 35487 0336, United States
    J Phys Chem A 120:793-804. 2016
    ..Overall, the calculations are consistent with the experiments in terms of reaction energies and vibrational frequencies...
  25. doi Properties of ThF(x) from infrared spectra in solid argon and neon with supporting electronic structure and thermochemical calculations
    K Sahan Thanthiriwatte
    Department of Chemistry, The University of Alabama, Tuscaloosa, Alabama 35487 0336, United States
    J Phys Chem A 118:2107-19. 2014
    ..The calculations provide the ionization potentials, electron affinities, fluoride affinities, Th-F bond dissociation energies, and the energies to bind F2 and F2(-) to a cluster as well as dimerization energies. ..
  26. ncbi U and P4 reaction products: a quantum chemical and matrix isolation spectroscopic investigation
    Bess Vlaisavljevich
    Department of Chemistry, University of Minnesota and Supercomputing Institute, 207 Pleasant St SE Minneapolis, Minnesota 55455 0431, USA
    Inorg Chem 49:9230-5. 2010
    ..54 effective bond order computed by CASPT2, may be compared to the (1)Σ(g)(+) ground state of N≡U≡N with 2.87 effective bond order, where third row elements are less effective for π bond formation than second row elements...
  27. ncbi Spectroscopic observation of a group 12 oxyfluoride: a matrix-isolation and quantum-chemical investigation of mercury oxyfluorides
    Lester Andrews
    Department of Chemistry, University of Virginia, Charlottesville, VA 22904 4319 USA
    Angew Chem Int Ed Engl 51:8235-8. 2012
    ..Assignment of these new bands to the first oxyfluoride of mercury, OHgF, and to the FOHgF insertion product is supported by quantum-chemical methods...
  28. doi Infrared spectra of MF2, MF2+, MF4-, MF3, and M2F6 molecules (M = Sc, Y, La) in solid argon
    Xuefeng Wang
    Department of Chemistry, Post Office Box 400319, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    J Phys Chem A 114:2293-9. 2010
    ....
  29. ncbi Infrared spectroscopic observation of the group 13 metal hydroxides, M(OH)1,2,3 (M =Al, Ga, In, and Tl) and HAl(OH)2
    Xuefeng Wang
    Chemistry Department, University of Virginia, P O Box 400319, Charlottesville, Virginia 22904 4319, USA
    J Phys Chem A 111:1860-8. 2007
    ..Aluminum atom reactions with the H2 + O2 mixtures favor the HAl(OH)2 product, suggesting that AlH3 generated by UV irradiation combines with O2 to form HAl(OH)2...
  30. ncbi Matrix infrared spectroscopic and electronic structure investigations of the lanthanide metal atom-methyl fluoride reaction products CH3-LnF and CH2-LnHF: the formation of single carbon-lanthanide metal bonds
    Mingyang Chen
    Department of Chemistry, The University of Alabama, Tuscaloosa, Alabama 35487 0336, USA
    J Phys Chem A 115:5609-24. 2011
    ..The reaction mechanism involves the potential formation of LaF and LaHF intermediates...
  31. ncbi Matrix infrared spectroscopic and computational investigations of the lanthanide-methylene complexes CH2LnF2 with single Ln-C bonds
    Xuefeng Wang
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    J Phys Chem A 115:1913-21. 2011
    ..The Ln-F bonds are almost purely ionic. Accordingly, the argon-neon matrix shifts are large (13-16 cm(-1)) for the ionic Ln-F bond stretching modes and small (∼1 cm(-1)) for the more covalent Ln-C bond stretching modes...
  32. ncbi Reactions of lanthanide atoms with oxygen difluoride and the role of the Ln oxidation state
    Tanya Mikulas
    Department of Chemistry, The University of Alabama, Shelby Hall, Tuscaloosa, Alabama 35487 0336, United States
    Inorg Chem 53:446-56. 2014
    ....
  33. doi Methane to Methanol Conversion Induced by Thorium Oxide through the CH(3)Th(O)H Intermediate in Solid Argon
    Yu Gong
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, United States
    Inorg Chem 51:11055-60. 2012
    ..There is no activation energy for the reaction of thorium atoms with methanol to give CH(3)Th(O)H, as observed in separate experiments with Th and CH(3)OH...
  34. doi Infrared spectroscopic and theoretical investigations of the OUF2 and OThF2 molecules with triple oxo bond character
    Yu Gong
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    Inorg Chem 51:6983-91. 2012
    ..Finally, the weak O-F bond in OF(2) as well as the strong U-O, U-F and Th-O, Th-F bonds make reaction to form the OUF(2) and OThF(2) molecules highly exothermic...
  35. doi Infrared spectrum of the CH3OCH2 radical in solid argon
    Yu Gong
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, United States
    J Phys Chem A 115:3029-33. 2011
    ....
  36. ncbi Combined triple and double bonds to uranium: the N≡U=N-H uranimine nitride molecule prepared in solid argon
    Xuefeng Wang
    Department of Chemistry, University of Virginia, P O Box 400319, Charlottesville, Virginia 22904 4319, USA
    Inorg Chem 50:3826-31. 2011
    ..Here, the terminal nitride is effectively a triple bond, just as found for N≡U≡N. The solid argon matrix is a convenient medium to isolate reactive terminal uranium nitrides for examination of their spectroscopic properties...
  37. doi Infrared spectra and density functional calculations for SMO2 molecules (M = Cr, Mo, W)
    Xuefeng Wang
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    J Phys Chem A 113:8934-41. 2009
    ..Additional weaker absorptions are assigned to the (SO2)(SMO2) adducts, which are stabilized by a four-membered ring...
  38. ncbi Infrared Spectra and Density Functional Calculations of the SUO(2) Molecule
    Xuefeng Wang
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319
    Inorg Chem 48:6888-95. 2009
    ..The C(2v) structure is analogous to those computed for UO(3) and US(3). Minor products were identified as SUO, the SUO(2)(+) cation, and the (SO(2))(SUO(2)) adduct...
  39. doi Investigation of gold fluorides and noble gas complexes by matrix-isolation spectroscopy and quantum-chemical calculations
    Xuefeng Wang
    Department of Chemistry, Tongji University, Shanghai 200092, China
    Angew Chem Int Ed Engl 51:10628-32. 2012
    ..Moreover, ArAuF, AuF(3), Au(2)F(6), and monomeric AuF(5) have been produced and identified under cryogenic conditions in neon and argon matrices...
  40. doi Formation of metal oxyfluorides from specific metal reactions with oxygen difluoride: infrared spectroscopic and theoretical investigations of the OScF2 radical and OScF with terminal single and triple Sc-O bonds
    Yu Gong
    Department of Chemistry, University of Virginia, Charlottesville, VA 22904 4319, USA
    Chemistry 18:12446-51. 2012
    ..Density functional calculations suggest it is highly exothermic for fluorine transfer from OF(2) to scandium, which favors the formation of the OScF(2) radical species as well as the OScF molecule after fluorine loss...
  41. ncbi Infrared spectra and quantum chemical calculations of the uranium-carbon molecules UC, CUC, UCH, and U(CC)2
    Xuefeng Wang
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    J Chem Phys 134:244313. 2011
    ..Evidence is found for bicyclic U(CC)(2) and tricyclic U(CC)(3). This work shows that U and C atoms react spontaneously to form the uranium carbide U≡C and C≡U≡C molecules with uranium-carbon triple bonds...
  42. ncbi Matrix infrared spectra and electronic structure calculations of the first actinide borylene: FB[double bond, length as m-dash]ThF(2)
    Xuefeng Wang
    Department of Chemistry, University of Virginia, Charlottesville, VA 22904 4319, USA
    Chem Commun (Camb) 46:1646-8. 2010
    ..Three new product absorptions in the B-F and Th-F stretching regions of matrix infrared spectra are assigned to FB[double bond, length as m-dash]ThF(2) from comparison to theoretically predicted vibrational frequencies...
  43. doi Matrix Infrared Spectra and Quantum Chemical Calculations of Ti, Zr, and Hf Dihydride Phosphinidene and Arsinidene Molecules
    Lester Andrews
    Department of Chemistry, University of Virginia, P O Box 400319, Charlottesville, Virginia 22904 4319, United States
    Inorg Chem 55:8786-93. 2016
    ..Calculations with fixed H-P-Ti and H-As-Ti angles (170.0°) and Cs symmetry find that electronic energies increased by 36 and 44 kJ/mol, respectively, which provide estimates for the agostic/bridged bonding energies. ..
  44. doi Infrared spectra of M-η2-C2H2, HM-C≡CH, and HM-C≡CH- prepared in reactions of laser-ablated group 3 metal atoms with acetylene
    Han Gook Cho
    Department of Chemistry, University of Incheon, Yeonsu gu, Incheon 406 772, South Korea
    J Phys Chem A 116:10917-26. 2012
    ..The group 3 metals evidently form weaker π-complexes than the group 4 metals. The addition of an electron to HM-CCH elongates the M-H and M-C bonds in the anionic species due to the lower ionic contributions to the bonding...
  45. doi Infrared spectra of CH3-MH through methane activation by laser-ablated Sn, Pb, Sb, and Bi atoms
    Han Gook Cho
    Department of Chemistry, University of Incheon, 119 Academy ro, Yonsu gu, Incheon, 406 772, South Korea
    J Phys Chem A 116:8500-6. 2012
    ..The computed methylidene structures for these main group metals are not agostic possibly because of the absence of valence d-orbitals...
  46. ncbi Infrared spectra and structures of the Th(OH)2 and Th(OH)4 molecules
    Xuefeng Wang
    Department of Chemistry, University of Virginia, McCormick Road, P O Box 400319, Charlottesville, VA 22904 4319, USA
    Phys Chem Chem Phys 7:3834-8. 2005
    ..Our MP2 calculations converge to slightly bent and tetrahedral structures, respectively. This investigation reports the first evidence for pure actinide dihydroxide and tetrahydroxide molecules...
  47. ncbi Reactions of group 3 transition metal atoms with CS2 and OCS: Matrix isolation infrared spectra and density-functional calculations of SMCS, SM-(eta2-CS), SMCO, and SM-(eta2-CO) in solid argon
    Alexander B Baker
    Department of Chemistry, University of Virginia, PO Box 400319, Charlottesville, Virginia 22904 4319, USA
    J Phys Chem A 110:10419-26. 2006
    ..This work reports the first vibrational spectroscopic characterization of Sc, Y, and La reaction products with CS2 and OCS and the subsequent interconversion between SMCX and S-M(eta2-CX) structural isomers...
  48. ncbi Matrix infrared spectroscopic and density functional theoretical investigations on thorium and uranium atom reactions with dimethyl ether
    Yu Gong
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    Dalton Trans 40:11106-14. 2011
    ..In the presence of another dimethyl ether reagent, evidence for (CH(3)O)(2)M(CH(3))(2) molecules is also produced upon UV irradiation...
  49. ncbi Formation and Calculations of the Simple Terminal Triplet Pnictinidene Molecules N/MF(3), P/MF(3), and As/MF(3) (M = Ti, Zr, Hf)
    Xuefeng Wang
    Department of Chemistry, University of Virginia, P O Box 400319, Charlottesville, Virginia 22904 4319
    Inorg Chem 48:6297-302. 2009
    ..This weak pi bonding interaction with early transition metal group 4 nd orbitals is optimum for Zr with phosphorus 3p orbitals...
  50. ncbi Matrix infrared spectroscopic and theoretical studies on the reactions of scandium, yttrium, and lanthanide metal atoms with dimethyl ether
    Yu Gong
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, United States
    J Phys Chem A 115:11624-31. 2011
    ..Although the Lu(CH(3)OCH(3)) complex is predicted to be a stable molecule, it is not observed in the experiment due to the low energy barrier for the subsequent C-O bond insertion reaction...
  51. ncbi Matrix infrared spectroscopic and theoretical of the difluoroamino metal fluoride molecules: F2NMF (M = Cu, Ag, Au)
    Yu Gong
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    Inorg Chem 51:667-73. 2012
    ..The M-N bonds in the F(2)NMF molecules are stronger than those in the FNMF(2) isomers with the Ag-N bond being longest and weakest in both cases...
  52. ncbi Experimental and theoretical investigation of simple terminal group 6 arsenide As[triple bond]MF3 molecules
    Xuefeng Wang
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    J Phys Chem A 113:6064-9. 2009
    ..The Cr atom reaction gives the arsinidene AsF=CrF2 product instead of the higher energy As[triple bond]CrF3 molecule as the Cr (VI) state is not supported by the softer pnictides...
  53. ncbi Matrix infrared spectroscopic and theoretical investigations of uranium atom and methanol reaction products
    Yu Gong
    Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 4319, USA
    Inorg Chem 50:7099-105. 2011
    ..Both U(IV) products have triplet ground states, U═O double bonds, and pyramidal skeletal structures...