The binary group 4 azides [Ti(N3)4] [P(C6H5)4][Ti(N3)5], and IP(C6H5)4]2[Ti(N3)6] and on linear Ti-N-NN coordination

被引:61
作者
Haiges, R [1 ]
Boatz, JA
Schneider, S
Schroer, T
Yousufuddin, M
Christe, KO
机构
[1] Univ So Calif, Loker Res Inst, Los Angeles, CA 90089 USA
[2] ERC Inc & Space & Missile Propuls Div, AFRL PRSP, Edwards AFB, CA 93524 USA
关键词
azides; density functional calculations; structure elucidation; titanium; vibrational spectroscopy;
D O I
10.1002/anie.200454156
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Out of line? Theory predicts that [Ti(N3)4] should exhibit unprecedented linear Ti-N-NN bond angles as a consequence of the α-N atoms of the azide groups acting as tridentate donors into the empty tetrahedral d0 orbitals of a (+IV) Group 4 metal atom. The title compounds were prepared and characterized (see structure). They do not possess linear Ti-N-NN angles because their coordination numbers exceed four.
引用
收藏
页码:3148 / 3152
页数:5
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共 51 条
[1]   REPORT ON PSEUDOHALOGEN METALLIC COMPOUNDS .62. X-RAY STRUCTURE-ANALYSIS OF TETRAPHENYLARSONIUM TETRAAZIDOAURATE (III) [J].
BECK, W ;
NOTH, H .
CHEMISCHE BERICHTE-RECUEIL, 1984, 117 (01) :419-422
[2]  
Beck W, 1999, EUR J INORG CHEM, P523
[3]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[4]  
Berger S., 1997, NMR SPECTROSCOPY NON
[5]   CRYSTAL STRUCTURE OF ZIRCONIUM (4) BOROHYDRIDE (AT-160 DEGREES) [J].
BIRD, PH ;
CHURCHILL, MR .
CHEMICAL COMMUNICATIONS, 1967, (08) :403-+
[6]   CRYSTAL-STRUCTURE OF DIPOTASSIUM TETRAZIDOZINCATE [J].
BRUNNER, AC ;
KRISCHNER, H .
ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1975, 142 (1-2) :24-34
[7]   Monomeric titanium(IV) azides as a new route to titanium nitride [J].
Carmalt, CJ ;
Cowley, AH ;
Culp, RD ;
Jones, RA ;
Sun, YM ;
Fitts, B ;
Whaley, S ;
Roesky, HW .
INORGANIC CHEMISTRY, 1997, 36 (14) :3108-3112
[8]  
CHOUKROUON R, 1980, J CHEM SOC DA, V9, P1800
[9]   EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F [J].
CLARK, T ;
CHANDRASEKHAR, J ;
SPITZNAGEL, GW ;
SCHLEYER, PV .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (03) :294-301
[10]   AZIDO DERIVATIVES OF BIS(CYCLOPENTADIENYL)ZIRCONIUM AND BIS(CYCLOPENTADIENYL)TITANIUM [J].
COUTTS, RSP ;
WAILES, PC .
AUSTRALIAN JOURNAL OF CHEMISTRY, 1971, 24 (05) :1075-&