TETRAHEDRAL-ATOM ZINCOPHOSPHATE STRUCTURES - SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF 2 NOVEL ANIONIC 8-RING FRAMEWORKS CONTAINING CATIONIC 1,4-DIAZABICYCLO[2.2.2]OCTANE GUESTS

被引:108
作者
HARRISON, WTA
MARTIN, TE
GIER, TE
STUCKY, GD
机构
[1] Department of Chemistry, University of California, Santa Barbara
[2] Central Research Division, Dow Corning Corporation, Midland
关键词
MOLECULAR SIEVE; ZINC PHOSPHATE; CRYSTAL STRUCTURE;
D O I
10.1039/jm9920200175
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 synthesis and structures of two new microporous, anionic zincophosphates whose channels contain cationic organic cations are described. Zn2(HPO4)3.H2N2C6H12 (ZnPO/dab-A) crystallizes in the triclinic space group P1BAR with a = 9.933(2) angstrom, b = 9.966(2) angstrom, c = 9.518(2) angstrom, alpha = 98.022(3)-degrees, beta = 114.805(3)-degrees, gamma = 107.696(3)degrees, V = 775.0 angstrom3 and Z = 2, with R(F) = 3.94% for 3417 observed reflections, according to the criterion l > 3-sigma(l). Zn4(PO4)2(HPO4)2.3H2O.H2N2C6H12 (ZnPO/dab-B) is also centric triclinic, P1BAR, with a = 9.515(2) angstrom, b = 12.297(2) angstrom, c = 9.461(2) angstrom, alpha = 91.030(4)-degrees, beta = 8.658(4)-degrees, gamma = 93.714(4)-degrees, V = 1091.7 angstrom3, Z = 2, with R(F) = 6.38% for 4150 observed reflections [l > 3-sigma(l)]. Both these new phases consist of a three-dimensional network of ZnO4 and PO4 tetrahedra, linked through oxygen vertices, to form two different open structures containing one-dimensional eight-ring channels, occupied by cationic, protonated diazabicyclo[2.2.2]octane, or dabco [(H2N2C6H12)2+] molecules and water. Some of the zinc and phosphorus polyhedra contain 'hanging' OH2 and OH groups: guest-framework and framework-framework hydrogen-bonds are a key structural feature of these new phases. These new phases are briefly compared with other open-framework topologies.
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页码:175 / 181
页数:7
相关论文
共 32 条
[1]   CRYSTAL-STRUCTURE OF AMICITE, A ZEOLITE [J].
ALBERTI, A ;
VEZZALINI, G .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1979, 35 (DEC) :2866-2869
[2]  
[Anonymous], 1970, CRYSTALLOGRAPHIC COM
[3]   STRUCTURAL FEATURES OF ALUMINOPHOSPHATE MATERIALS WITH AI/P=1 [J].
BENNETT, JM ;
DYTRYCH, WJ ;
PLUTH, JJ ;
RICHARDSON, JW ;
SMITH, JV .
ZEOLITES, 1986, 6 (05) :349-&
[4]  
BRECK DW, 1984, ZEOLITE MOL SIEVES, P5
[5]   EMPIRICAL PARAMETERS FOR CALCULATING CATION-OXYGEN BOND VALENCES [J].
BROWN, ID ;
WU, KK .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1976, 32 (JUL15) :1957-1959
[6]   SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF A HOMOLOGOUS SERIES OF DIVALENT-METAL PHOSPHONATES, MII(O3PR).H2O AND MII(HO3PR)2 [J].
CAO, G ;
LEE, H ;
LYNCH, VM ;
MALLOUK, TE .
INORGANIC CHEMISTRY, 1988, 27 (16) :2781-2785
[7]   WEIGHTING SCHEME FOR LEAST-SQUARES STRUCTURE REFINEMENT [J].
CARRUTHERS, JR ;
WATKIN, DJ .
ACTA CRYSTALLOGRAPHICA SECTION A, 1979, 35 (JUL) :698-699
[8]  
Cromer D.T, 1974, INT TABLES XRAY CRYS, VIV
[9]   CATIONIC POLYMERS AS TEMPLATES IN ZEOLITE CRYSTALLIZATION [J].
DANIELS, RH ;
KERR, GT ;
ROLLMANN, LD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (10) :3097-3100
[10]   STRUPLO84, A FORTRAN PLOT PROGRAM FOR CRYSTAL-STRUCTURE ILLUSTRATIONS IN POLYHEDRAL REPRESENTATION [J].
FISCHER, RX .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1985, 18 (AUG) :258-262