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1.
Sanzharov N. A. Yarovoi A. T. Bekhtereva E. S. Ulenikov O. N. 《Russian Physics Journal》2002,45(10):1024-1031
Analytical formulas are derived that describe the dependences of the transition probabilities in vibrational-rotational spectra of XY3-type molecules with C
3v
symmetry on the rotational quantum numbers. 相似文献
2.
S. S. Yarovoi S. F. Solodovnikov Z. A. Solodovnikova Yu. V. Mironov V. E. Fedorov 《Journal of Structural Chemistry》2006,47(1):97-101
A cluster complex of the composition [Th(DMSO)8Cl][Re6Se7Cl7] has been obtained by interaction of ThCl4 solution in DMSO with a water solution of K3[Re6Se7Cl7] and KCl. The compound crystallizes in the rhombic space group Pbcm with unit cell parameters a = 12.262(2) Å, b = 19.653(6) Å, c = 23.603(6) Å, V = 5688(2) Å3, Z = 4, d calc = 3.282 g/cm3. The structure is built from centrosymmetric cluster anions [Re6Se7Cl7]3? and complex cations [Th(DMSO)8Cl]3+ possessing mirror-plane symmetry, half of the DMSO ligands being doubly disordered. 相似文献
3.
Mironov YV Yarovoi SS Naumov DY Kozlova SG Ikorsky VN Kremer RK Simon A Fedorov VE 《The journal of physical chemistry. B》2005,109(50):23804-23807
The novel vanadium thiobromide, V4S9Br4, with a square-planar metal cluster core was synthesized and characterized by single-crystal X-ray diffraction, measurements of magnetic properties and the heat capacity, and DFT calculations of the electronic structure. At the room temperature, the compound displays paramagnetic properties with an independent spin on each V atom and with a weak exchange constant (J approximately 10 cm(-1)). The paramagnetic state is transformed into a low-spin state (AF-type ordering) at low temperatures. This change is accompanied by a heat-capacity anomaly. The observed magnetic and heat-capacity anomalies can be explained by the thermal excitation of electrons on the closely spaced molecular energy levels in the presence of the Jahn-Teller effect. 相似文献
4.
Yoshimura T Chen ZN Itasaka A Abe M Sasaki Y Ishizaka S Kitamura N Yarovoi SS Solodovnikov SF Fedorov VE 《Inorganic chemistry》2003,42(16):4857-4863
Hexarhenium(III) complexes with terminal isothiocyanate ligands, [(n-C(4)H(9))(4)N](4)[Re(6)(mu(3)-S)(8)(NCS)(6)] (1) and (L)(4)[Re(6)(mu(3)-Se)(8)(NCS)(6)] (L(+) = PPN(+) (2a), (n-C(4)H(9))(4)N(+) (2b)), have been prepared by three different methods. Complex 1 was prepared by the reaction of [(n-C(4)H(9))(4)N](4)[Re(6)(mu(3)-S)(8)Cl(6)] with molten KSCN at 200 degrees C, while 2b was obtained by refluxing the chlorobenzene-DMF (2:1 v/v) solution of [Re(6)(mu(3)-Se)(8)(CH(3)CN)(6)](SbF(6))(2) and [(n-C(4)H(9))(4)N]SCN. The [Re(6)(mu(3)-Se)(8)(NCS)(6)](4)(-) anion was also obtained from a mixture of Cs(2)[Re(6)(mu(3)-Se)(8)Br(4)] and KSCN in C(2)H(5)OH by a mechanochemical activation at room temperature for 20 h and isolated as 2a. The X-ray structures of 1 and 2a.4DMF have been determined (1, C(70)H(144)N(10)S(14)Re(6), monoclinic, space group P2(1)/n (No. 14), a = 14.464(7) A, b = 22.059(6) A, c = 16.642(8) A, beta = 113.62(3) degrees, V = 4864(3) A(3), Z = 2; 2a.4DMF, C(162)H(144)N(14)O(4)P(8)S(6)Se(8)Re(6), triclinic, space group P1 (No. 2), a = 15.263(2) A, b = 16.429(2) A, c = 17.111(3) A, alpha = 84.07(1) degrees, beta = 84.95(1) degrees, gamma = 74.21(1) degrees, V = 4098.3(8) A(3), Z = 1). All the NCS(-) ligands in both complexes are coordinated to the metal center via nitrogen site with the Re-N distances in the range of 2.07-2.13 A. The redox potentials of the reversible Re(III)(6)/Re(III)(5)Re(IV) process in acetonitrile are +0.84 and +0.70 V vs. Ag/AgCl for [Re(6)(mu(3)-S)(8)(NCS)(6)](4)(-) and [Re(6)(mu(3)-Se)(8)(NCS)(6)](4)(-), respectively, which are the most positive among the known hexarhenium complexes with six terminal anionic ligands. The complexes show strong red luminescence with the emission maxima (lambda(max)/nm), lifetimes (tau(em)/micros), and quantum yields (phi(em)) being 745 and 715, 10.4 and 11.8, and 0.091 and 0.15 for 1 and 2b, respectively, in acetonitrile. The data reasonably well fit in the energy-gap plots of other hexarhenium(III) complexes. The temperature dependence of the emission spectra and tau(em) of 1 and [(n-C(4)H(9))(4)N](4)[Re(6)(mu(3)-S)(8)Cl(6)] are also reported. 相似文献
5.
L.S. Khaikin A.V. Belyakov G.S. Koptev A.V. Golubinskii V.N. Kirin A.S. Kozmin L.V. Vilkov S.S. Yarovoi 《Journal of Molecular Structure》1978,44(1):55-71
A gas phase electron diffraction study of the cage hydrocarbon, basketene, is reported. A least squares treatment of molecular intensities has been carried out in terms of a geometrically consistent rα structure. The mean amplitude values and shrinkage corrections have been calculated using the force field parameters estimated from the data on simpler molecules.Structure refinement of the C2v molecular model yields the following parameter values (bond lengths, ra, in nm; angles, rα in degrees): <C2—C3, C4—C5?av 0.1609(14); C3—C4 0.1563(6); C9C10 0.1360(9); C1—C10 0.1511(13); C1—C2 0.1517(9); <C-H>av. 0.1092(8); <C3C4C7 88.5(1.0); dihedral angle C3C4C7/C3C5C7 153.8(1.0). Parenthesized are three times the standard deviation values, 3σ.In addition to the geometric parameters listed, the mean amplitudes for all bonded and C· C nonbonded distances have been determined by the least squares method. All the other amplitudes (C· H and H· H) have been fixed at the values estimated from the spectral data.Comparison of the results obtained with the literature data on similar polycyclic molecules points to the stronger internal strain in the basketene molecule. 相似文献
6.
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9.
With the development of the quantum theory of synchrotron radiation, its correspondence to the classical one has been investigated.
However, up to now there has been no detailed comparison of the results of classical and quantum theories. The present work
studies this problem. It gives the results of application of asymptotic methods to the quantum theory of synchrotron boson
radiation.
__________
Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 8, pp. 47–51, August, 2005. 相似文献
10.