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排序方式: 共有134条查询结果,搜索用时 15 毫秒
1.
L’ubica Triščíková Ivan Potočňák Jozef Chomič Peter Baran 《Transition Metal Chemistry》2006,31(4):504-515
The new mixed-valence mixed-metal complex Cu(py)6Cu2Ag2(CN)6 (py = pyridine) possesses a three dimensional polymeric crystal structure. The Cu(I) atom is tetrahedrally coordinated by
two nitrogen atoms of pyridine molecules, by one nitrogen atom of the dicyanoargentate anion and by one carbon atom of the
cyano group. Both the dicyanoargentate anion and the cyano group bridge the Cu(I) atom with neighboring Cu(II) atoms. These
are hexacoordinated in the form of an elongated tetragonal bipyramid. The equatorial plane is formed by two nitrogen atoms
from two pyridine molecules and two nitrogen atoms from bridging cyano groups. Axial positions are occupied by nitrogen atoms
of the bridging [Ag(CN2]− anions. Correlation between structures of the title compound and seven other dicyanoargentates with their i.r. spectra has
been studied. The coordination mode of [Ag(CN2]− anions in compounds Cu8-xAgx(tn)3(CN)10 x = 0.25, Cu(3-Mepy)2Ag2(CN)4, Cu(py)2Ag2(CN)4 and Cu(py)4Ag2(CN)4 (tn is 1,3-diaminopropane, 3-Mepy is 3-methylpyridine) is predicted based on this correlation. 相似文献
2.
Density functional theory and multiconfigurational CASPT2 and density matrix renormalization group DMRG-CASPT2 have been employed to study the low-lying states of NbGen−/0/+ (n = 1–3) clusters. With the DMRG-CASPT2 method, the active spaces are extended to a size of 20 orbitals. For most of the states, the CASPT2 relative energies are comparable with the DMRG-CASPT2 results. The leading configuration, bond distances, vibrational frequencies, and relative energies of the low-lying states of these clusters were calculated. The ground states of these clusters were computed to be 3Δ, 4Φ, and 5Φ of NbGe−/0/+; 3A2, 4B1, and 3B1 of cyclic-NbGe2−/0/+; and 1A′, 12A″ and 12A′′ (2E), and 3A″ of tetrahedral-NbGe3−/0/+ isomers. For NbGe cluster, our calculations proposed that the 6∑ is almost degenerate with the 4Φ with the CASPT2 and DMRG-CASPT2 relative energies of 0.05 and 0.06 eV. The adiabatic detachment energies of NbGen− (n = 1–3) clusters were estimated to be 1.46, 1.55, and 2.18 eV by the CASPT2 method. The relevant detachment energies of the anionic ground state and the ionization energies of the neutral ground states are evaluated at the CASPT2 level. 相似文献
3.
In this work,the entropy functions of ideal quantum gases in a three-dimensional harmonic trap are analytically calculated using temperature as an explicit variable.Afterward,the applicability of the analytical formulas is validated by comparison with the numerical calculation.The results illustrate that the obtained functions could be applied for the whole temperature regime with a maximum relative deviation of less than 7.5%in the vicinity of the critical temperature Tcin the case of Bose gases.Meanwhile,for Fermi gases,although the analytical formula fits well at very low-and high-temperature regimes,it cannot be applied at temperature in the range[0.3-0.5]T_F,where T_F is the Fermi temperature.In addition,the consistency between our formulas and classical ones at significantly high temperatures is also discussed. 相似文献
4.
A systemic study of the impact of aromatic substitution on the reaction rate and network properties of the isomers of a tetraglycidylaniline triphenyl ether epoxy resin cured with anhydride hardeners is presented here. The epoxy resins synthesized in this work were based upon N,N,N,N‐tetraglycidyl bis(aminophenoxy)benzene (TGAPB), where the glycidyl aniline and ether groups change from being all meta (133 TGAPB), to meta and para (134 TGAPB), and finally to an all para substituted epoxy resin (144 TGAPB). Increasing para substitution increased reaction rate, promoted the onset of vitrification and increased epoxide conversion. Thermal properties such as glass transition temperatures (Tg) and coefficients of thermal expansion (CTE) both increased consistently with increasing para substitution, although thermal stability as measured via thermogravimetric analysis decreased. Mechanical properties also varied systematically with flexural strength and ductility increasing with increased para substitution, while the modulus decreased. Indeed, the ductility almost doubled, as measured by the work of fracture and displacement at failure highlighting the importance of substitution on properties. 相似文献
5.
This paper is a continuation of our earlier note [V. T. T. Hien and N. M. Tri, “Analyticity of Solutions of Semililnear Equations
with Double Characteristics,” J. Math. Anal. Appl. 337, 1249–1260 (2008)]. Here we prove the analyticity of solutions of a class of semilinear elliptic degenerate equations with
double characteristics by using the Fourier transform. 相似文献
6.
Metallabisphosphonates as Chelating Ligands. II. Synthesis and Reactivity of Mono- and Binuclear Palladiumbisphosphonate Complexes Containing OHO and OBF2O Bridges The complexes C5H5Pd[{P(OR)2O}2H] ( 1 : R = Me; 2 : R = Et) are formed either by reaction of C5H5Pd(2-MeC3H4) with dimethyl- and diethylphosphite or by reaction of [ClPd{P(OR)2O}2H]2 ( 3 : R = Me; 4 : R = Et) with TlC5H5. With excess HP(O)(OMe)2, the π-allyl complex (2-MeC3H4)Pd[{P(OMe)2O}2H] ( 5 ) is also formed (besides 1 ) from C5H5Pd(2-MeC3H4). The 1H and 31P n.m.r. spectra indicate that in 1 – 5 the PdP2O2H chelate ring presumably contains a symmetrical OHO-hydrogen bond. The reaction of 3 with BF3 etherate leads to the binuclear complex [ClPd{P(OMe)2O}2BF2]2 ( 6 ) which reacts with TlC5H5 to yield C5H5Pd[{P(OMe)2O}2BF2] ( 7 ). From C5H5Pd[{P(OR)2O}2H] ( 1 , 2 ) and NH3 the bisamminepalladium bisphosphonates(NH3)2Pd[P(OR)2O]2 ( 8 , 9 ) are formed which probably possess a trans-configuration. The reaction of 8 , 9 with CF3COOH does not lead to a corresponding Pd[{P(OR)2O}2H] chelate complex but instead gives by elimination of NH3 polymeric palladium bisphosphonates [Pd{P(OR)2O}2]n ( 10 , 11 ). 1 reacts with thallium acetylacetonate to give C5H5Pd[P(OMe)2O]2Tl ( 12 ). 相似文献
7.
It is well known that Moore digraphs do not exist except for trivial cases (degree 1 or diameter 1), but there are digraphs of diameter two and arbitrary degree which miss the Moore bound by one. No examples of such digraphs of diameter at least three are known, although several necessary conditions for their existence have been obtained. In this paper, we prove that digraphs of degree three and diameter k ≥ 3 which miss the Moore bound by one do not exist. © 2004 Wiley Periodicals, Inc. J Graph Theory 48: 112–126, 2005 相似文献
8.
9.
LetK be an algebraically closed field withp:=char (K)>0 andX a bielliptic curve over Spec(K) with genus≥6 and such that the canonical model ofX is ordinary. In this paper we determine all the possible gap sequences of Weierstrass points on such curves. 相似文献
10.