Rationalisation of the IR stretching frequencies of Bronsted acid centres in microporous solids

被引:20
作者
Lewis, DW
Sastre, G
机构
[1] Univ London Univ Coll, Dept Chem, London WC1H 0AJ, England
[2] Univ Politecn Valencia, Inst Tecnol Quim UPV CSIC, Valencia 46022, Spain
关键词
D O I
10.1039/a809509d
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The relative position of the O-H stretching frequency of Bronsted acid sites in microporous solids is found to be correlated with the gradient norm of the electrostatic potential and, unlike previous attempts to provide a unified picture of the vibrational properties in such solids, the correlation is found for all structural and compositional variants studied to date.
引用
收藏
页码:349 / 350
页数:2
相关论文
共 11 条
[1]  
CATLOW CRA, 1982, COMPUTER SIMULATION
[2]   DEPENDENCE OF ZEOLITE PROPERTIES ON COMPOSITION - UNIFYING CONCEPTS [J].
DWYER, J ;
FITCH, FR ;
NKANG, EE .
JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (26) :5402-5404
[3]   DERIVATION OF INTERATOMIC POTENTIALS FOR MICROPOROUS ALUMINOPHOSPHATES FROM THE STRUCTURE AND PROPERTIES OF BERLINITE [J].
GALE, JD ;
HENSON, NJ .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1994, 90 (20) :3175-3179
[4]   GULP: A computer program for the symmetry-adapted simulation of solids [J].
Gale, JD .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1997, 93 (04) :629-637
[5]   AN ATTEMPT TO RATIONALIZE STRETCHING FREQUENCIES OF LATTICE HYDROXYL-GROUPS IN HYDROGEN-ZEOLITES [J].
JACOBS, PA ;
MORTIER, WJ .
ZEOLITES, 1982, 2 (03) :226-230
[6]   INTERATOMIC POTENTIALS FOR SIO2 [J].
SANDERS, MJ ;
LESLIE, M ;
CATLOW, CRA .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1984, (19) :1271-1273
[7]   Modelling of Bronsted acidity in AFI and CHA zeotypes [J].
Sastre, G ;
Lewis, DW .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1998, 94 (19) :3049-3058
[8]  
SASTRE G, IN PRESS P 12 INT ZE
[9]   THEORETICAL-STUDIES OF PROTONS IN SODIUM-HYDROXIDE [J].
SAUL, P ;
CATLOW, CRA ;
KENDRICK, J .
PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 1985, 51 (02) :107-117
[10]   BRIDGING HYDROXYL-GROUPS IN ZEOLITIC CATALYSTS - A COMPUTER-SIMULATION OF THEIR STRUCTURE, VIBRATIONAL PROPERTIES AND ACIDITY IN PROTONATED FAUJASITES (H-Y ZEOLITES) [J].
SCHRODER, KP ;
SAUER, J ;
LESLIE, M ;
CATLOW, CRA ;
THOMAS, JM .
CHEMICAL PHYSICS LETTERS, 1992, 188 (3-4) :320-325