1960 .
49
–
..
-
: ,
,
.., .., ..
: , ,
.., .., ..,
.., ..
: , ,
U ZrSiO4
.., .., ., ..,
.., ..
: ,
,
.., .., ..
[1,3]-
: , , , O-,
O-, , , ,
230
221
215
211
207
6
2, 2008
Стр.1
.., .., - ..
-
: , -,
,
.., ..
-1,3- - 13C
: -1,3-, - 13C-,
, ,
-
..
V(IV)
: , -,
,
.., .., ..
2
2+2 Pt/MoO3
: Pt/MoO3, ,
2+2,
..
:
H-
: , ,
, , , ,
..
-. I.
: , , ,
-
.., .., ..,
.., .., ..,
..
,
-
: , , ,
, ,
RT RT R
pg GG 2
0
00
1
21
1 T
T
pSS S 1
00
2
0
T
T
2
1
2
1
292
2 dT
0
C
0
dT
284
275
269
259
249
238
Стр.2
.., ..
-
: ,
, ,
..
: , , ,
, , ,
.., .., ..,
..
(II)
(II) Cu(tfa)2•Pb(hfa)2
: , , -,
,
.., .., ..
Ni(II) Pd(II) 2,2,6,6-3--4--5-:
,
: -, (II), (II),
,
.., .., ..
Rh[(C2H5O)2PS2]3
Co[(C6H5O)2PS2]3
: , Rh(III), Co(III),
,
.., .., ..,
..
: , , ,
C-H…,
.., ..
1:1
:
D–H…A (D = O, C; A = O, )
: , , ,
, , , ,
,
340
335
330
322
317
309
299
Стр.3
.., .., ..,
..
-
-(3)
(II),
[Cu(782N2)2(OH2)2]SO4H2O
: , ,
, , 3-
.., .., ..
CuO ,
: , , , ,
, , , ,
.., ..
: ,
, -
: , ,
, ,
.., .., .., ..,
..
Fe(dpm)3 243 – 210
: , ,
,
.., .., .., ..,
..
[RhPy4Cl2]4[Re6S8(CN)6]1,5H2O
: , , ,
,
.., .., .., ..,
.., ..
1--1--5
(2--2--1,3--6--6-2-)
: 1--1--5-,
,
.., .., ..,
.., .., ..
Pt0,25Os0,75
: , , , ,
,
,
—
©
, 2, 2008
394
390
387
383
360
353
347
Стр.4
CONTENTS
Theory of molecular structure and chemical bonding
Gribov L.A. Method of evaluating the probability of structural isomer-isomeric transformations at presence
of the large number of quasi-degenerations of the energy levels of the interacting subsystems . . 207
Gribov L.A., Dementiev V.A., Mikhailov I.V. Incidence matrix and graphs for chemical transformations
..................................................................................... 211
Ryzhkov M.V., Ivanovskii A.L., Porotnikov A.V., Shchapova J.V., Votyakov S.L. Electronic structure
of uranium impurity center in zircon ..................................................... 215
Tarasov Yu.I., Bazhanova Z.G., Kovtun D.M., Boltalin A.I., Novosadov B.K., Kochikov I.V. Quantum
chemical study of silver trifluoroacetate dimmer ........................................... 221
Kobychev V.B., Vitkovskaya N.M., Trofimov B.A. A theoretical study of the [1,3]-prototropic shift in
oximes and oxime ethers ................................................................... 230
Study of the structure of molecules by physical methods
Kornakova T.A., Bogdanova T.F., Piottukh-Peletsky V.N. Evaluation of the efficiency of joint using
the IR and mass-spectrometry data bases for structure elucidation ............................... 238
Panchenko Yu.N., De Maré G.R. Vibrational analysis of buta-1,3-diene and its deutero- and 13C-derivatives
and some of their rotational isomers ................................................... 249
Gilinskaya L.G. EPR spectra of V(IV) complexes and the structure of petroleum porphyrins ............ 259
Kalinkin A.V., Pashis A.V., Bukhtiyarov V.L. XPS study of the interaction H2 and H2+O2 mixtures
with the model catalyst Pt/MoO3 ............................................................ 269
Structure of liquids and solutions
Efimov Yu.Ya. Influence of H-bond bridge geometry on water vibration spectra: the simplest models of
H-bond potential .......................................................................... 275
Teplukhin A.V. Computer simulation study of local ordering of water molecules by Monte Carlo
method. I. Binary spatial correlations ........................................................ 284
Kustov A.V., Smirnova N.L., Antonova O.A., Krestyaninov M.A., Zheleznyak N.I., Grechin O.V.,
Korolev V.P. Thermodynamic properties, intermolecular interaction parameters and structure of
aqueous amide solutions of ammonium and tetraalkylammonium bromides ....................... 292
Zaichikov A.M., Krestyaninov M.A. Structural and thermodynamic parameters and intermolecular
interactions in aqueous solutions of formic acid amides ........................................ 299
Crystal chemistry
Batsanov S.S. Dependency of energy on the bond length in molecules and crystals .................... 309
Baidina I.A., Krisyuk V.V., Peresypkina E.V., Stabnikov P.A. Structure and properties of heterocomplex
compound
of
lead(II) hexafluoroacetylacetonate and copper(II) trifluoroacetylacetonate
Cu(tfa)2Pb(hfa)2 .......................................................................... 317
Zharkova G.I., Baidina I.A., Igumenov I.K. New volatile Ni(II) and Pd(II) complexes based on 2,2,6,6tetramethyl-3-amino-4-hepten-5-ono:
properties, structures ..................................... 322
Стр.5
Klevtsova R.F., Glinskaya L.A., Larionov S.V. Crystal and molecular structures of intracomplex compounds,
Rh[(C2H5O)2PS2]3 and Co[(C6H5O)2PS2]3 ............................................. 330
Lodochnikova O.A., Litvinov I.A., Palei R.V., Plemenkov V.V. The crystal structure of sulfonium salts
of natural azulenes ......................................................................... 335
Supramolecular and nanodimensional systems
Polyanskaya T.M., Khaldoyanidi K.A. Synthesis and structure of the 1:1 complex between quinol and
dimethyl sulfoxid: supramolecular architecture via hydrogen bonding D—H···A (D = O, C; A = O, ) . 340
Miminoshvili E.B., Miminoshvili K.E., Zazashvili S.R., Beridze L.A. Structure of trans-diaqua-bis(3hydroxybenzoylhydrazine)copper(II)
sulfate monohydrate, [Cu(782N2)2(OH2)2]SO4 H2O ...... 347
Stadnichenko A.I., Sorokin A.M., Boronin A.I. XPS, UPS and STM study of the nanostructured CuO
films ..................................................................................... 353
Reviews
Shein I.R., Ivanovskii A.L. Thorium compounds with nonmetals: electronic structure, chemical bonding,
physicochemical properties ................................................................. 360
Brief communications
Smolentsev A.I., Alekseev A.V., Gorvard R.V., Baidina I.A. Fe(dpm)3 phase transition in the range of
243—210 K .............................................................................. 383
Shusharina E.A., Yusenko K.V., Kurateva N.V., Baydina I.A., Gromilov S.A. Synthesis and Crystal
structure of the [Ru(NH3)5Cl]2[Re6S8(CN)6]3H2O ............................................ 387
Voronkov .G., Korlyukov A.A., Zelbst E.., Grebneva E.A., Trofimova .., Antipin M.Yu.
Moleculare structure of 1-phenyl-1-fluoro-5-methylquazisilatrane (2-phenyl-2-fluoro-1,3-dioxa-6aza-6-methyl-2-silacyclooctane)
............................................................. 390
Gromilov S.A., Dyachkova T.V., Tyutyunnik A.P., Zaynulin Yu.G., Gubanov A.I., Cherepanova
S.V. Study of product of thermobarically-treated Pt0,25Os0,75 ................................. 394
Стр.6