@article {CHEM:CHEM201600951,
	title = {Phosphoramidate-Supported Cp*IrIII Aminoborane H2B=NR2 Complexes: Synthesis, Structure, and Solution Dynamics},
	journal = {Chemistry {\textendash} A European Journal},
	volume = {22},
	number = {20},
	year = {2016},
	pages = {6793{\textendash}6797},
	keywords = {aminoboranes, B-H activation, density functional calculations, IRIDIUM, ligand effects},
	issn = {1521-3765},
	doi = {10.1002/chem.201600951},
	url = {http://dx.doi.org/10.1002/chem.201600951},
	author = {Drover, Marcus W. and Bowes, Eric G. and Schafer, Laurel L. and Love, Jennifer A. and Weller, Andrew S.}
}
@article {CHEM:CHEM201600951,
	title = {Phosphoramidate-Supported Cp*IrIII Aminoborane H2B=NR2 Complexes: Synthesis, Structure, and Solution Dynamics},
	journal = {Chemistry {\textendash} A European Journal},
	volume = {22},
	number = {20},
	year = {2016},
	pages = {6793{\textendash}6797},
	abstract = {Reaction of aminoboranes H2B=NR2 (R=iPr or Cy) with the cationic Cp*IrIII phosphoramidate complex [IrCp*{κ2-N,O-Xyl(N)P(O)(OEt)2}][BArF4] generates the aminoborane complexes [IrCp*(H){κ1-N-η2-HB-Xyl(N)P(OBHNR2)(OEt)2}][BArF4] (R=iPr or Cy) in which coordination of a P=O bond with boron weakens the B=N multiple bond. For these complexes, solution- and solid-state, as well as DFT computational techniques, have been employed to substantiate B-N bond rotation of the coordinated aminoborane.},
	keywords = {aminoboranes, B-H activation, density functional calculations, IRIDIUM, ligand effects},
	issn = {1521-3765},
	doi = {10.1002/chem.201600951},
	url = {http://dx.doi.org/10.1002/chem.201600951},
	author = {Drover, Marcus W. and Bowes, Eric G. and Schafer, Laurel L. and Love, Jennifer A. and Weller, Andrew S.}
}
@article {1338,
	title = {Salts of the cobalt(I) complexes [Co(CO)(5)](+) and[Co(CO)(2)(NO)(2)](+) and the Lewis acid-base adduct [CO2(CO)(7)CO-B(CF3)(3)]},
	journal = {Chemistry-a European Journal},
	volume = {12},
	number = {32},
	year = {2006},
	note = {ISI Document Delivery No.: 110YZTimes Cited: 4Cited Reference Count: 60Bernhardt, Eduard Finze, Maik Willner, Helge Lehmann, Christian W. Aubke, Friedhelm},
	month = {Nov},
	pages = {8276-8283},
	type = {Article},
	abstract = {The reaction of [Co-2(CO)(8)] with (CF3)(3)BCO in hexane leads to the Lewis acid-base adduct [CO2(CO)(7)COB(CF3)(3)] in high yield. When the reaction is performed in anhydrous HF solution [Co(CO)(5)][(CF3)(3)BF] is isolated. The product contains the first example of a homoleptic metal pentacarbonyl cation with 18 valence electrons and a trigonal-bipyramidal structure. Treatment of [Co-2(CO)(8)] or [Co(CO)(3)NO] with NO+ salts of weakly coordinating anions results in mixed crystals containing the [Co(CO)(5)](+)/[Co(CO)(2)(NO)(2)](+) ions or pure novel [Co(CO)(2)(NO)(2)](+) salts, respectively. This is a promising route to other new metal carbonyl nitrosyl cations or even homoleptic metal nitrosyl cations. All compounds were characterized by vibrational spectroscopy and by single-crystal X-ray diffraction.},
	keywords = {ALUMINUM HALIDES, ANIONS, carbonyl ligands, cobalt, density, density functional calculations, DICOBALT OCTACARBONYL, EXCHANGE, LIGANDS, METAL-CARBONYL CATIONS, NITRIC-OXIDE, NITROSYL, SOLID-STATE, SPECTROSCOPIC PROPERTIES, vibrational spectroscopy, VIBRATIONAL-SPECTRA},
	isbn = {0947-6539},
	url = {<Go to ISI>://000242418600008},
	author = {Bernhardt, E. and Finze, M. and Willner, H. and Lehmann, C. W. and Aubke, F.}
}
@article {1270,
	title = {Lewis adducts of the side-on end-on dinitrogen-bridged complex [{(NPN)Ta}(2)(mu-H)(2)(mu-eta(1):eta(2)-N-2)] with AlMe3, GaMe3, and B(C6F5)(3): Synthesis, structure, and spectroscopic properties},
	journal = {Chemistry-a European Journal},
	volume = {11},
	number = {2},
	year = {2005},
	note = {ISI Document Delivery No.: 887VLTimes Cited: 12Cited Reference Count: 49},
	month = {Jan},
	pages = {604-618},
	type = {Article},
	abstract = {{Reaction of the side-on end-on dinitrogen complex [{(NPN)Ta}(2)(mu- H)(2)(mu-eta(1):eta(2)-N-2)] (1; in which NPN= (PhNSiMe2CH2)(2)PPh), with the Lewis acids XR3 results in the adducts [{(NPN)Ta}(2)(mu-H)(2)(mu-eta(1):eta(2)-NNXR3)]},
	keywords = {CHEMISTRY, CLEAVAGE, COORDINATED, density functional calculations, DINITROGEN, DINITROGEN COMPLEXES, DINUCLEAR TANTALUM COMPLEX, EFFECTIVE CORE POTENTIALS, FIXATION, MOLECULAR CALCULATIONS, MOLYBDENUM CENTER, N-2 LIGAND, NITROGEN, Raman spectroscopy, REACTIVITY, tantalum, TRIS(PENTAFLUOROPHENYL)BORANE},
	isbn = {0947-6539},
	url = {<Go to ISI>://000226333500014},
	author = {Studt, F. and MacKay, B. A. and Johnson, S. A. and Patrick, B. O. and Fryzuk,Michael D. and Tuczek, F.}
}
@article {4730,
	title = {The tetrakis(carbonyl)dioxoosmium(VI) cation: trans-[OsO2(CO)(4)](2+)},
	journal = {Angewandte Chemie-International Edition},
	volume = {39},
	number = {1},
	year = {2000},
	note = {ISI Document Delivery No.: 273GWTimes Cited: 5Cited Reference Count: 34},
	pages = {168-+},
	type = {Article},
	keywords = {C-13, carbonyl complexes, CATIONS, COMPLEXES, CRYSTAL-STRUCTURE, density functional calculations, MAS-NMR-SPECTRA, MOLECULAR-STRUCTURE, superacidic systems, UNDECAFLUORODIANTIMONATE(V), vibrational spectroscopy},
	isbn = {1433-7851},
	url = {<Go to ISI>://000084700400017},
	author = {Bernhardt, E. and Willner, H. and Jonas, V. and Thiel, W. and Aubke, F.}
}
@article {4669,
	title = {A computational study of two-state conformational changes in 16-electron [CpW(NO)(L)] complexes (L = PH3, CO, CH2, HCCH, H2CCH2)},
	journal = {Chemistry-a European Journal},
	volume = {5},
	number = {5},
	year = {1999},
	note = {ISI Document Delivery No.: 194UQTimes Cited: 20Cited Reference Count: 52},
	month = {May},
	pages = {1598-1608},
	type = {Article},
	abstract = {Electronically and coordinatively unsaturated [Cp*W(NO)(L)] complexes have been postulated as intermediates in several related systems. Model [CpW(NO)(L)] compounds (L= PH3, CO, CH2, H2CCH2, HCCH) have been investigated theoretically by means of density functional theory computational techniques. The structural parameters calculated for saturated [CpW(NO)(PH,)(L)] complexes are in good agreement with the solid-state molecular structures determined crystallographically for the corresponding [Cp*W(NO)(PMe3)(L)] compounds. The 16-electron, singlet [CpW(NO)(L)] species have geometries comparable to those of the same fragment in the phosphine adducts and include a highly pyramidal conformation at W. The energy of the triplet spin state is calculated to be close to or even lower than that of the singlet state for these unsaturated compounds, and depends largely on the pi-bonding capabilities of L (Delta Es-t=Delta E-t-Delta E-s = - 3.3 kcalmol(-1) (PH3), + 2.8 (CO), + 2.4 (CH2), +6.3 (H2CCH2), -2.3 (HCCH)). The optimization of partially constrained structures in both spin states allows for a conformational analysis of the [CpW(NO)(L)] species. The inversion of the conformation of the pyramidal singlet [CpW(NO)(L)] complexes via the planar-at-W triplet species (two-state pathway) is calculated to be competitive with the equivalent process solely along the singlet spin hypersurface. Rotation of the W-CH, bond in the singlet carbene species is also found to proceed more readily via a two-state pathway. The preferred alkyne conformation, the unusually stable triplet states, and the strong W-to-L sc-donation observed in these systems may all be rationalized by the relatively high energies of the occupied orbitals of the formally WO compounds.},
	keywords = {ACTIVATION, CROSSOVER, density functional calculations, H BOND, LIGAND, ligand effects, MOLECULAR CALCULATIONS, ORGANOMETALLIC NITROSYL CHEMISTRY, OXIDATIVE ADDITION, pi interactions, PIANO-STOOL COMPLEXES, REACTIVITY, REDUCTIVE ELIMINATION, SPIN, SPIN-STATE, TUNGSTEN},
	isbn = {0947-6539},
	url = {<Go to ISI>://000080212600026},
	author = {Smith, K. M. and Poli, R. and Legzdins,Peter}
}
