THE ELECTRONIC-STRUCTURE OF KEGGIN ANION (PW12O40)3- AND CATALYTIC PROPERTIES

被引：15

作者：

CHEN, TL ^{[1
]}

JI, J ^{[1
]}

XIAO, SX ^{[1
]}

CAI, TX ^{[1
]}

YAN, GS ^{[1
]}

机构：

[1] CHINESE ACAD SCI,DALIAN INST CHEM PHYS,DALIAN,PEOPLES R CHINA

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1992年 / 44卷 / 06期

关键词：

D O I：

10.1002/qua.560440606

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The electronic structure of the Keggin anion (PW12O40)3- has been calculated by the DV-Xalpha method. The nature of the chemical bonds of the Keggin anion and the relationship between electronic structure and catalytic behavior are discussed. At the same time, the difference in electronic structure and. the relationship in catalytic behavior between (PW12O40)3- and (PMo12O40)3- are compared.

引用

页码：1015 / 1025

页数：11

共 16 条

[1]

AMOUR AHD, 1976, Z KRISTALLOGR, V143, P1

[2]

[Anonymous], 1978, TOP CURR CHEM

[3] DODECATUNGSTOPHOSPHORIC ACID HEXAHYDRATE, (H5O2+)3(PW12O403-) - TRUE STRUCTURE OF KEGGINS PENTAHYDRATE FROM SINGLE-CRYSTAL X-RAY AND NEUTRON-DIFFRACTION DATA [J].

BROWN, GM ;

NOESPIRLET, MR ;

BUSING, WR ;

LEVY, HA .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 1977, 33 (APR15) :1038-1046

[4] ELECTRONIC-STRUCTURES OF PMO12O40 HETEROPOLYANIONS, ASMO12O40 HETEROPOLYANIONS, SIMO12O40 HETEROPOLYANIONS, GEMO12O40 HETEROPOLYANIONS AND THEIR REDUCTION BEHAVIOR [J].

EGUCHI, K ;

SEIYAMA, T ;

YAMAZOE, N ;

KATSUKI, S ;

TAKETA, H .

JOURNAL OF CATALYSIS, 1988, 111 (02) :336-344

[5] RECOGNITION OF STEREOCHEMICAL PATHS BY ORBITAL INTERACTION [J].

FUKUI, K .

ACCOUNTS OF CHEMICAL RESEARCH, 1971, 4 (02) :57-&

[6] METHANOL CONVERSION OVER METAL-SALTS OF 12-TUNGSTOPHOSPHORIC ACID [J].

HAYASHI, H ;

MOFFAT, JB .

JOURNAL OF CATALYSIS, 1983, 81 (01) :61-66

[7]

HIGHFIELD JG, 1984, 8TH P INT C CAT BEST, V622

[8]

IZUMI Y, 1982, CHEM REV, V34, P116

[9] HOMOGENEOUS CATALYSTS BASED ON HETEROPOLY ACIDS (REVIEW) [J].

KOZHEVNIKOV, IV ;

MATVEEV, KI .

APPLIED CATALYSIS, 1983, 5 (02) :135-150

[10] THE CATALYSIS OF METHANOL AND ETHANOL CONVERSIONS ON MOLYBDENUM AND TUNGSTEN HETEROPOLY COMPOUNDS [J].

MCMONAGLE, JB ;

MOFFAT, JB .

JOURNAL OF CATALYSIS, 1985, 91 (01) :132-141

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