Unsaturation in binuclear cyclopentadienylchromium carbonyl thiocarbonyls: Viability of (η5-C5H5)2Cr2(CS)2(CO)3 in contrast to (η5-C5H5)2Cr2(CO)5
暂无分享,去创建一个
[1] H. Schaefer,et al. Stabilization of binuclear chromium carbonyls by substitution of thiocarbonyl groups for carbonyl groups: nearly linear structures for Cr(2)(CS)(2)(CO)(9). , 2010, The journal of physical chemistry. A.
[2] H. Schaefer,et al. Binuclear cobalt thiocarbonyl carbonyl derivatives: comparison with homoleptic binuclear cobalt carbonyls. , 2009, Inorganic chemistry.
[3] H. Schaefer,et al. Iron carbonyl thiocarbonyls: effect of substituting a thiocarbonyl group for a carbonyl group in mononuclear and binuclear iron carbonyl derivatives. , 2009, Inorganic chemistry.
[4] H. Schaefer,et al. Beyond the metal-metal triple bond in binuclear cyclopentadienylchromium carbonyl chemistry. , 2008, Dalton transactions.
[5] W. Petz. 40 years of transition-metal thiocarbonyl chemistry and the related CSe and CTe compounds , 2008 .
[6] Baiquan Wang,et al. Unexpected reactions of (Me2C)(Me2Si)[(η5-C5H3)Mo(CO)3]2 with diazoalkane and carbon disulfide: Activation and cleavage of the NN bond and disproportionation of carbon disulfide , 2008 .
[7] H. Schaefer,et al. Spectroscopic detection and theoretical confirmation of the role of Cr2(CO)5(C5R5)2 and .Cr(CO)2(ketene)(C5R5) as intermediates in carbonylation of N=N=CHSiMe3 to O=C=CHSiMe3 by .Cr(CO)3(C5R5) (R = H, CH3). , 2007, Journal of the American Chemical Society.
[8] J. Harvey,et al. Computational study of the energetics of 3Fe(CO)4, 1Fe(CO)4 and 1Fe(CO)4(L), L = Xe, CH4, H2 and CO. , 2006, Physical chemistry chemical physics : PCCP.
[9] H. Schaefer,et al. Concerning the precision of standard density functional programs : Gaussian, molpro, nwchem, Q-chem, and gamess , 2006 .
[10] H. Schaefer,et al. Remarkable aspects of unsaturation in trinuclear metal carbonyl clusters: the triiron species Fe3(CO)n (n = 12, 11, 10, 9). , 2006, Journal of the American Chemical Society.
[11] Michael Bühl,et al. Geometries of Transition-Metal Complexes from Density-Functional Theory. , 2006, Journal of chemical theory and computation.
[12] H. Schaefer,et al. Unsaturation in binuclear cyclopentadienyliron carbonyls. , 2006, Inorganic chemistry.
[13] Filipp Furche,et al. The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry. , 2006, The Journal of chemical physics.
[14] H. Schaefer,et al. Binuclear cyclopentadienylcobalt carbonyls: comparison with binuclear iron carbonyls. , 2005, Journal of the American Chemical Society.
[15] A. Sironi,et al. Chemical bonding in transition metal carbonyl clusters: complementary analysis of theoretical and experimental electron densities , 2003 .
[16] D. Mastropaolo,et al. Crystallographic study of dicarbonylpentamethylcyclopentadienylchromium dimer, a complex with a chromium-chromium triple bond , 2002 .
[17] Jr.,et al. On the integration accuracy in molecular density functional theory calculations using Gaussian basis sets , 2000, physics/0006069.
[18] S. Niu,et al. Theoretical studies on reactions of transition-metal complexes. , 2000, Chemical reviews.
[19] T. Barckholtz,et al. ON THE POSSIBLE STRUCTURES OF MN2(CO)8 : THEORETICAL SUPPORT FOR AN UNPRECEDENTED ASYMMETRIC UNBRIDGED ISOMER , 1998 .
[20] Trevor F. Nolan,et al. UNUSUAL STRUCTURE AND REACTIVITY OF THE PHOTOGENERATED INTERMEDIATE CP*CR(MU -CO)3CRCP* (CP* = ETA 5-C5ME5) , 1997 .
[21] H. Jacobsen,et al. Octacarbonyl Diiron. A Density Functional Study , 1996 .
[22] Walter Thiel,et al. Theoretical study of the vibrational spectra of the transition metal carbonyls M(CO)6 [M=Cr, Mo, W], M(CO)5 [M=Fe, Ru, Os], and M(CO)4 [M=Ni, Pd, Pt] , 1995 .
[23] Hans Peter Lüthi,et al. Binding energies, molecular structures, and vibrational frequencies of transition metal carbonyls using density functional theory with gradient corrections , 1994 .
[24] G. Frenking,et al. Structures and Bond Energies of the Transition Metal Hexacarbonyls M(CO)6 (M = Cr, Mo, W). A Theoretical Study , 1994 .
[25] A. Becke. Density-functional thermochemistry. III. The role of exact exchange , 1993 .
[26] F. Stone,et al. Synthesis and structure of the first example of a four-electron donor, side-on bridging thiocarbonyl ligand , 1989 .
[27] A. Becke,et al. Density-functional exchange-energy approximation with correct asymptotic behavior. , 1988, Physical review. A, General physics.
[28] Parr,et al. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.
[29] J. Perdew,et al. Density-functional approximation for the correlation energy of the inhomogeneous electron gas. , 1986, Physical review. B, Condensed matter.
[30] B. A. Wilson,et al. Dinuclear, 18-electron species having a triplet ground state: isolation, characterization, and crystal structure of photogenerated (.eta.5-C5Me5)2Fe2(.mu.-CO)3 , 1985 .
[31] L. F. Dahl,et al. Molecular structure of the MoMo triple-bonded pentamethylcyclopentadienylmolybdenum dimer, Mo2(η5-C5Me5)2(CO)4, and its geometrical relationship with the nonmethylated cyclopentadienyl analogue (MoMo) and corresponding chromium dimers (CrCr) , 1983 .
[32] T. Meyer,et al. Mechanistic aspects of the photochemistry of metal-metal bonds. Evidence for the intervention of two different primary photoproducts in the photochemistry of (eta/sup 5/-C/sub 5/H/sub 5/)/sub 2/Fe/sub 2/(CO)/sub 4/ , 1980 .
[33] Diane M. Hood,et al. Electronic structure of homoleptic transition metal hydrides: TiH4, VH4, CrH4, MnH4, FeH4, CoH4, and NiH4 , 1979 .
[34] M. Curtis,et al. The Crystal and Molecular Structure of Bis(cyclopentadienyldicarbonylchromium) (CrCr) , 1978 .
[35] R. Jacobson,et al. Synthesis of thiocarbonyl-bridged(η5-C5H5)2Fe2(CO)3(CS) and crystal structure of an s-alkylated derivative , 1978 .
[36] I. Butler. Transition-metal thiocarbonyls and selenocarbonyls , 1977 .
[37] P. Yaneff. Thiocarbonyl and related complexes of the transition metals , 1977 .
[38] J. Clardy,et al. Synthesis and structure of dicarbonyldi-η-cyclopentadienylbis(μ-thiocarbonyl)diiron, a thiocarbonyl analog of the dicarbonyl-η-cycglopentadienyliron dimer , 1976 .
[39] I. Butler,et al. .pi.-cyclopentadienylmanganese thiocarbonyl and carbon disulfide complexes , 1974 .
[40] I. Butler,et al. Activation of carbon disulphide by transition metal complexes , 1974 .
[41] F. Cotton,et al. Unusual structural and magnetic resonance properties of dicyclopentadienylhexacarbonyldichromium , 1974 .
[42] R. King,et al. Pentamethylcyclopentadienyl derivatives of transition metals , 1973 .
[43] T. H. Dunning. Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First‐Row Atoms , 1970 .
[44] A. Wachters,et al. Gaussian Basis Set for Molecular Wavefunctions Containing Third‐Row Atoms , 1970 .
[45] R. King,et al. Organometallic chemistry of the transition metals XXI. Some π-pentamethylcyclopentadienyl derivatives of various transition metals , 1967 .
[46] G. Schreckenbach,et al. A Reassessment of the First Metal-Carbonyl Dissociation Energy in M(CO)4 (M = Ni, Pd, Pt), M(CO)5 (M = Fe, Ru, Os), and M(CO)6 (M = Cr, Mo, W) by a Quasirelativistic Density Functional Method , 1995 .
[47] P. Broadhurst. Transition-metal thiocarbonyl complexes: Preparative methods, reactivity and thiocarbonyl ligand bonding properties , 1985 .
[48] A. Hepp,et al. Photochemistry of (.eta.5-C5H5)2Fe2(CO)4 and related complexes in rigid matrixes at low temperature: loss of carbon monoxide from the trans isomer to yield triply CO-bridged species , 1984 .
[49] H. Schaefer. Methods of Electronic Structure Theory , 1977 .
[50] I. Butler,et al. Cyclopentadienylmanganese dicarbonyl thiocarbonyl , 1970 .