Structure, stability, and nature of bonding in carbon monoxide bound EX3+ complexes (E = group 14 element; X = H, F, Cl, Br, I)
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Anand Kumar | Pratim Kumar Chattaraj | Gabriel Merino | Sudip Pan | Manas Ghara | P. Chattaraj | S. Pan | Anand Kumar | G. Merino | Manas Ghara
[1] Ranajit Saha,et al. A noble interaction: An assessment of noble gas binding ability of metal oxides (metal = Cu, Ag, Au) , 2016 .
[2] S. Strauss,et al. Infrared and manometric evidence for the formation of the [Ag(CO)3]+ complex ion at high PCO , 1994 .
[3] Tian Lu,et al. Multiwfn: A multifunctional wavefunction analyzer , 2012, J. Comput. Chem..
[4] Gernot Frenking,et al. Electronic structure of CO—An exercise in modern chemical bonding theory , 2007, J. Comput. Chem..
[5] R. Bader. Atoms in molecules : a quantum theory , 1990 .
[6] G. Frenking,et al. Trends in Molecular Geometries and Bond Strengths of the Homoleptic d10 Metal Carbonyl Cations [M(CO)n]x+ (Mx+=Cu+, Ag+, Au+, Zn2+, Cd2+, Hg2+; n=1–6): A Theoretical Study , 1999 .
[7] Qiang Xu,et al. A New Gold Catalyst: Formation of Gold(I) Carbonyl, [Au(CO)n]+ (n = 1, 2), in Sulfuric Acid and Its Application to Carbonylation of Olefins , 1997 .
[8] G. Frenking,et al. Theoretical Analysis of the Bonding between CO and Positively Charged Atoms , 1997 .
[9] K. Hiraoka,et al. Thermochemistry and structure of the cluster ions CH3+(CO)n and SiH3+(CO)n in the gas phase , 1997 .
[10] S. Strauss,et al. Bis(carbonyl)silver tetrakis(pentafluorooxotellurato)borate: the first structurally characterized M(CO)2 complex , 1993 .
[11] Woo Jong Cho,et al. Intriguing Electrostatic Potential of CO: Negative Bond-ends and Positive Bond-cylindrical-surface , 2015, Scientific Reports.
[12] G. Frenking,et al. Carbon monoxide bonding with BeO and BeCO3 : surprisingly high CO stretching frequency of OCBeCO3. , 2015, Angewandte Chemie.
[13] G. Frenking,et al. The Nature of the Transition Metal–Carbonyl Bond and the Question about the Valence Orbitals of Transition Metals. A Bond Energy Decomposition Analysis of TM(CO)6q (TMq = Hf2–, Ta1–, W0, Re1+, Os2+, Ir3+) , 2000 .
[14] S. F. Boys,et al. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors , 1970 .
[15] V. Baranov,et al. Experimental and Theoretical Studies of SiFn(CO)2 + Cations with n ) 2 and 3: A Search for Pentacoordinate Cationic Silicon , 1997 .
[16] Artur Michalak,et al. Donor–Acceptor Properties of Ligands from the Natural Orbitals for Chemical Valence , 2007 .
[17] Arvi Rauk,et al. On the calculation of multiplet energies by the hartree-fock-slater method , 1977 .
[18] G. Frenking,et al. Nonclassical Metal Carbonyls , 2007 .
[19] H. Willner,et al. Syntheses and Vibrational and (13)C MAS-NMR Spectra of Bis(carbonyl)mercury(II) Undecafluorodiantimonate(V) ([Hg(CO)(2)][Sb(2)F(11)](2)) and of Bis(carbonyl)dimercury(I) Undecafluorodiantimonate ([Hg(2)(CO)(2)][Sb(2)F(11)](2)) and the Molecular Structure of [Hg(CO)(2)][Sb(2)F(11)](2). , 1996, Inorganic chemistry.
[20] A. Haaland,et al. Topological analysis of electron densities: is the presence of an atomic interaction line in an equilibrium geometry a sufficient condition for the existence of a chemical bond? , 2004, Chemistry.
[21] Miquel Solà,et al. Polycyclic benzenoids: why kinked is more stable than straight. , 2007, The Journal of organic chemistry.
[22] H. Stoll,et al. Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16–18 elements , 2003 .
[23] Keiji Morokuma,et al. Why do molecules interact? The origin of electron donor-acceptor complexes, hydrogen bonding and proton affinity , 1977 .
[24] Artur Michalak,et al. A Combined Charge and Energy Decomposition Scheme for Bond Analysis. , 2009, Journal of chemical theory and computation.
[25] S. Strauss,et al. Ag(CO)B(OTeF5)4 : the first isolable silver carbonyl , 1991 .
[26] Elfi Kraka,et al. Chemical Bonds without Bonding Electron Density — Does the Difference Electron‐Density Analysis Suffice for a Description of the Chemical Bond? , 1984 .
[27] Evert Jan Baerends,et al. Relativistic total energy using regular approximations , 1994 .
[28] Roald Hoffmann,et al. IS CO A SPECIAL LIGAND IN ORGANOMETALLIC CHEMISTRY? THEORETICAL INVESTIGATION OF AB, FE(CO)4AB, AND FE(AB)5 (AB = N2, CO, BF, SIO) , 1998 .
[29] Davide M. Proserpio,et al. Experimental Electron Density in a Transition Metal Dimer: Metal−Metal and Metal−Ligand Bonds , 1998 .
[30] Kenneth B. Wiberg,et al. Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane , 1968 .
[31] G. Frenking,et al. Nonclassical Metal Carbonyls: Appropriate Definitions with a Theoretical Justification. , 1998, Angewandte Chemie.
[32] G. Frenking,et al. Observation of Main-Group Tricarbonyls [B(CO)3 ] and [C(CO)3 ](+) Featuring a Tilted One-Electron Donor Carbonyl Ligand. , 2016, Chemistry.
[33] Jerzy Cioslowski,et al. Topological properties of electron density in search of steric interactions in molecules : electronic structure calculations on ortho-substituted biphenyls , 1992 .
[34] Philip Coppens,et al. Theoretical analysis of the triplet excited state of the [Pt2(H2P2O5)4]4- ion and comparison with time-resolved X-ray and spectroscopic results. , 2003, Journal of the American Chemical Society.
[35] K. Hiraoka,et al. On the Structure and Stability of Gas-Phase Cluster Ions SiF3+(CO)n, SiF3OH2+(SiF4)n, SiF4H+(SiF4)n, and F-(SiF4)n , 2000 .
[36] L. A. Duncanson,et al. 586. Olefin co-ordination compounds. Part III. Infra-red spectra and structure: attempted preparation of acetylene complexes , 1953 .
[37] G. Frenking,et al. Formation and characterization of the boron dicarbonyl complex [B(CO)2](-). , 2015, Angewandte Chemie.
[38] Jerzy Cioslowski,et al. Universality among topological properties of electron density associated with the hydrogen–hydrogen nonbonding interactions , 1992 .
[39] R. Jones,et al. Bis(carbonyl)gold(I) undecafluorodiantimonate(V), [Au(CO)2][Sb2F11]: synthesis, vibrational, and carbon-13 NMR study and the molecular structure of bis(acetonitrile)gold(I) hexafluoroantimonate(V), [Au(NCCH3)2][SbF6] , 1992 .
[40] G. Frenking,et al. Structure and Bonding of the Isoelectronic Hexacarbonyls [Hf(CO)6]2-, [Ta(CO)6]-, W(CO)6, [Re(CO)6]+, [Os(CO)6]2+, and [Ir(CO)6]3+: A Theoretical Study1 , 1997 .
[41] G. Frenking,et al. The π-Donor Ability of the Halogens in Cations and Neutral Molecules. A Theoretical Study of AX3+, AH2X+, YX3, and YH2X (A = C, Si, Ge, Sn, Pb; Y = B, Al, Ga, In, Tl; X = F, Cl, Br, I) , 1997 .
[42] Piero Macchi,et al. Charge Density in Transition Metal Clusters: Supported vs Unsupported Metal−Metal Interactions , 1999 .
[43] Kelling J. Donald,et al. Influence of endohedral confinement on the electronic interaction between He atoms: a He2@C20H20 case study. , 2009, Chemistry.
[44] Pratim K Chattaraj,et al. Metastable behavior of noble gas inserted tin and lead fluorides. , 2015, Physical chemistry chemical physics : PCCP.
[45] Evert Jan Baerends,et al. Geometry optimizations in the zero order regular approximation for relativistic effects. , 1999 .
[46] K. Krogh-Jespersen,et al. Why Do Cationic Carbon Monoxide Complexes Have High C−O Stretching Force Constants and Short C−O Bonds? Electrostatic Effects, Not σ-Bonding , 1996 .
[47] Alberto Vela,et al. The implications of symmetry of the external potential on bond paths. , 2008, Chemistry.
[48] L. Andrews,et al. Reactions of Pulsed-Laser-Evaporated Be Atoms with CO2. Infrared Spectra of OCBeO and COBeO in Solid Argon , 1994 .
[49] Sreyan Ghosh,et al. Structure and stability of noble gas bound EX3+ compounds (E = C, Ge, Sn, Pb; X = H, F, Cl, Br) , 2016, J. Comput. Chem..
[50] Ranajit Saha,et al. σ-Aromatic cyclic M3(+) (M = Cu, Ag, Au) clusters and their complexation with dimethyl imidazol-2-ylidene, pyridine, isoxazole, furan, noble gases and carbon monoxide. , 2016, Physical chemistry chemical physics : PCCP.
[51] Gernot Frenking,et al. Is this a chemical bond? A theoretical study of Ng2@C60 (Ng=He, Ne, Ar, Kr, Xe). , 2007, Chemistry.
[52] Artur Michalak,et al. Applications of natural orbitals for chemical valence in a description of bonding in conjugated molecules , 2008, Journal of molecular modeling.