Study of the structure and stability of aqua complexes Y(H2O) n3+ (n=1-10) by Ab initio methods

被引：2

作者：

Buz'ko, V. Yu. ^{[1
]}

Sukhno, I. V. ^{[1
]}

Buz'ko, M. B. ^{[1
]}

Polushin, A. A. ^{[1
]}

Panyushkin, V. T. ^{[1
]}

机构：

[1] Kuban State Univ, Krasnodar 350640, Russia

来源：

RUSSIAN JOURNAL OF INORGANIC CHEMISTRY | 2006年 / 51卷 / 08期

关键词：

D O I：

10.1134/S0036023606080146

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The structural and energetic characteristics of aqua complexes Y(H2O)(n)(3+) (n = 1-10) have been calculated by the ab initio RHF and MP2 methods.

引用

页码：1276 / 1282

页数：7

共 42 条

[11] Alternatives for cyclopentadienyl ligands in organoyttrium chemistry: Bis(N,O-bis(tert-butyl)(alkoxydimethylsilyl)amido)yttrium compounds [J].

Duchateau, R ;

Tuinstra, T ;

Brussee, EAC ;

Meetsma, A ;

vanDuijnen, PT ;

Teuben, JH .

ORGANOMETALLICS, 1997, 16 (15) :3511-3522

[12]

Dunning T. H., 1977, MODERN THEORETICAL C, P1, DOI DOI 10.1007/978-1-4757-0887-5_1

[13]

Frisch M.J., 2004, Gaussian 03

[14]

Revision C.02

[15] MOLECULAR-STRUCTURES OF 5-THIABICYCLO[2.1.1]HEXANE AND 7-THIANORBORNANE AS STUDIED BY GAS ELECTRON-DIFFRACTION [J].

FUKUYAMA, T ;

OYANAGI, K ;

KUCHITSU, K .

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1976, 49 (03) :638-643

[16] STRUCTURE AND STEREOCHEMISTRY IN F-BLOCK COMPLEXES OF HIGH COORDINATION-NUMBER .8. THE [M(UNIDENTATE)9] SYSTEM - CRYSTAL-STRUCTURES OF [M(OH2)9] [CF3SO3]3, M = LA, GD, LU, Y [J].

HARROWFIELD, JM ;

KEPERT, DL ;

PATRICK, JM ;

WHITE, AH .

AUSTRALIAN JOURNAL OF CHEMISTRY, 1983, 36 (03) :483-492

[17]

HAY PJ, 1985, J CHEM PHYS, V82, P299, DOI [10.1063/1.448800, 10.1063/1.448799]

[18] YTTRIUM 1992 [J].

HOUSECROFT, CE .

COORDINATION CHEMISTRY REVIEWS, 1995, 138 :27-37

[19] Yttrium 1993 [J].

Housecroft, CE .

COORDINATION CHEMISTRY REVIEWS, 1995, 146 :A155-A165

[20] A quantum chemical computational study of the relative stabilities of cis- and trans-platinum dichloride in aqueous solution [J].

Hush, NS ;

Schamberger, J ;

Bacskay, GB .

COORDINATION CHEMISTRY REVIEWS, 2005, 249 (3-4) :299-311

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