Structure and stability of coinage metal fluoride and chloride clusters (MnFn and MnCln, M = Cu, Ag, or Au; n = 1–6)
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[1] G. Herzberg. Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules , 1939 .
[2] J. Heully,et al. Ab initio calculations of structural and electronic properties of small silver bromide clusters , 1999 .
[3] G. Chambaud,et al. Electronic structure and spectroscopy of monohalides of metals of group I-B , 2002 .
[4] W. Demtröder,et al. High‐resolution isotope selective laser spectroscopy of Ag2 molecules , 1993 .
[5] T. Klapötke,et al. Intriguing Gold TrifluorideMolecular Structure of Monomers and Dimers: An Electron Diffraction and Quantum Chemical Study , 2000 .
[6] A. Becke. Density-functional thermochemistry. III. The role of exact exchange , 1993 .
[7] D. Truhlar,et al. A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions. , 2006, The Journal of chemical physics.
[8] A. Tsipis,et al. Molecular and electronic structure, magnetotropicity and absorption spectra of benzene-trinuclear copper(I) and silver(I) trihalide columnar binary stacks. , 2012, Inorganic chemistry.
[9] Hubert Schmidbaur,et al. The aurophilicity phenomenon: A decade of experimental findings, theoretical concepts and emerging applications , 2000 .
[10] H. Stoll,et al. Energy-adjustedab initio pseudopotentials for the second and third row transition elements , 1990 .
[11] Pekka Pyykkö,et al. Strong Closed-Shell Interactions in Inorganic Chemistry. , 1997, Chemical reviews.
[12] F. Spiegelman,et al. Ab initio study of silver bromide AgnBrp(+) clusters (n⩽6,p=n,n−1) , 2001 .
[13] Abdul-Rahman Allouche,et al. Gabedit—A graphical user interface for computational chemistry softwares , 2011, J. Comput. Chem..
[14] Harold Basch,et al. Compact effective potentials and efficient shared‐exponent basis sets for the first‐ and second‐row atoms , 1984 .
[15] S K Kang,et al. Copper-catalyzed coupling reaction of terminal alkynes with aryl- and alkenyliodonium salts. , 2001, Organic letters.
[16] Kenneth B. Wiberg,et al. Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane , 1968 .
[17] F. Weigend,et al. Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy. , 2005, Physical chemistry chemical physics : PCCP.
[18] Gerry,et al. The Pure Rotational Spectra of AuCl and AuBr. , 2000, Journal of Molecular Spectroscopy.
[19] M. Hargittai,et al. Molecular Structure, Bonding, and Jahn−Teller Effect in Gold Chlorides: Quantum Chemical Study of AuCl3, Au2Cl6, AuCl4-, AuCl, and Au2Cl2 and Electron Diffraction Study of Au2Cl6 , 2001 .
[20] Guntram Rauhut,et al. Energy-consistent pseudopotentials for group 11 and 12 atoms: adjustment to multi-configuration Dirac–Hartree–Fock data , 2005 .
[21] R. Konings,et al. Trimer formation of AgI. A gas-phase FT-IR and theoretical study , 2002 .
[22] V. Schomaker,et al. An Electron Diffraction Investigation of the Structure of Cuprous Chloride Trimer , 1957 .
[23] J. Berkowitz,et al. Photoelectron spectroscopy of AgCl, AgBr, and AgI vapors , 1980 .
[24] P. Fayet,et al. The role of small silver clusters in photography , 1986 .
[25] P. Schwerdtfeger,et al. Spectroscopic properties for the ground states of AuF, AuF+, AuF2, and Au2F2: A pseudopotential scalar relativistic Mo/ller–Plesset and coupled‐cluster study , 1995 .
[26] M. Morse. Clusters of transition-metal atoms , 1986 .
[27] Parr,et al. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.
[28] Stefan Grimme,et al. Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction , 2006, J. Comput. Chem..
[29] G. Gigli,et al. Mass Spectrometric Study of the Vaporization of Cuprous Chloride and the Dissociation Energy of Cu3Cl3, Cu4Cl4, and Cu5Cl5 , 1971 .
[30] P. Schwerdtfeger,et al. The molecular structure of different species of cuprous chloride from gas-phase electron diffraction and quantum chemical calculations. , 2003, Chemistry.
[31] F. Rabilloud,et al. Adiabatic electron affinities of (AgF)n clusters: Experiment and DFT calculations , 2008 .
[32] H. Schäfer,et al. Gleichgewichtsdrucke über AgJ,f + Ag,f , 1973 .
[33] T. P. Martin,et al. Matrix isolated copper and silver halide clusters , 1980 .
[34] P. Jena,et al. Superhalogen properties of CumCln clusters: theory and experiment. , 2011, The Journal of chemical physics.
[35] M. Y. Wang,et al. Electronic structures and chemical bonding in 4d transition metal monohalides , 2007, J. Comput. Chem..
[36] Robert P. Krawczyk,et al. A comparison of structure and stability between the group 11 halide tetramers M4X4 (M = Cu, Ag, or Au; X = F, Cl, Br, or I) and the group 11 chloride and bromide phosphanes (XMPH3)4. , 2004, Inorganic chemistry.
[37] M. Hargittai,et al. Structural variations and bonding in gold halides: a quantum chemical study of monomeric and dimeric gold monohalide and gold trihalide molecules, AuX, Au2X2, AuX3, and Au2X6 (X = F, Cl, Br, I). , 2001, Chemistry.
[38] F. Rabilloud,et al. Metastable fragmentation of silver bromide clusters , 2001 .
[39] B. A. Hess,et al. Relativistic all-electron coupled-cluster calculations on Au2 in the framework of the Douglas–Kroll transformation , 2000 .
[40] F. Rabilloud,et al. Ab Initio Study of Neutral and Charged Copper Bromide (CuBr)n(+) Clusters (n = 1–6) , 2012, Journal of Cluster Science.
[41] Augusto Beléndez,et al. Mixed phase-amplitude holographic gratings recorded in bleached silver halide materials , 2002 .
[42] Frank Weinhold,et al. Natural bond orbital analysis of near‐Hartree–Fock water dimer , 1983 .
[43] Michael Dolg,et al. Ab initio energy-adjusted pseudopotentials for elements of groups 13-17 , 1993 .
[44] Donald G Truhlar,et al. Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions. , 2006, Journal of chemical theory and computation.
[45] S. Cesaro,et al. The infrared spectrum of matrix isolated cuprous chloride , 1972 .
[46] Jun Li,et al. The mixed cyanide halide Au(I) complexes, [XAuCN]− (X = F, Cl, Br, and I): evolution from ionic to covalent bonding , 2011 .