Titanate chemical structures

Figure 5.1 Chemical structures of two commercial titanate coupling agents.

Other Names C.I. Direct Yellow 9 C.I. Direct Yellow 9, disodium salt Clayton Yellow Atlantic Brilliant Yellow MN Benzo Yellow TZ C.I. 19540 Chlorazol Yellow 2G Chlorazol Yellow DP Diaphtamine Brilliant Yellow 6GS Diazamine Golden Yellow T Diazol Yellow J Direct Yellow MTZ Direct Yellow TZ Ferro 42-145A Hispamin Pure Yellow T2G Mimosa Z Peeramine Bright Yellow MN Pontamine Pure Yellow Pontamine Pure Yellow MN Thiazol Yellow Thiazol Yellow G Thiazol Yellow GGM Thiazol Yellow R Thiazol Yellow Z Thiazole Y Thiazole Yellow G Thiazole Yellow GGM Thiazole yellow Titan Yellow Titan Yellow Dye Titan Yellow G CA Index Name 7-Benzothiazolesulfonic acid, 2,2 -(l-triazene-l,3-diyldi-4,l-phenylene)hi5 [6-methyl-, disodium salt CAS Registry Number 1829-00-1 Merck Index Number 9310 Chemical Structure... 

CaC03 treated with 1 wt % titanate coupling agent KR-TTS, which is isopropyl triisostearoyl titanate (Kenrich Petrochemicals) with chemical structure... 

Gogeva and Fakrrov [20] synthesized polycecides and PBT-based PEE with 1,4-butyn-2-diol (BSD) (Scheme 3) using tetrabutyl titanate as a catalyst. The chemical structure of the PEE was determined using NMR. The content... 

Some elucidation of the mechanism of elastomer reinforcement is being obtained by precipitating chemically-generated fillers into network structures rather than blending badly agglomerated filler particles into elastomers prior to their cross-linking. This has been done for a variety of fillers, for example, silica by hydrolysis of organosilicates, titania from titanates, alumina from aluminates, etc. [85-87], A typical, and important, reaction is the acid- or base-catalyzed hydrolysis of tetraethylorthosilicate ... 

Approximately ten years ago, it was first reported by Haertling and Land (jj that optical transparency was achieved in a ferroelectric ceramic material. This material was, in reality, not just one composition but consisted of a series of compositions in the lanthanum modified lead zirconate-lead titanate (PLZT) solid solution region. The multiplicity of compositions, each with different mechanical, electrical and electrooptic properties has led to a decade of study in defining the chemical and structural nature of these materials in understanding the phenomena underlying their optical and electrooptic properties and in evaluating the practicality of the large number of possible applications (2-12),... 

A modification of G2 by Pople and co-workers was deemed sufficiently comprehensive tliat it is known simply as G3, and its steps are also outlined in Table 7.6. G3 is more accurate titan G2, witli an error for the 148-molecule heat-of-formation test set of 0.9 kcal mol . It is also more efficient, typically being about twice as fast. A particular improvement of G3 over G2 is associated with improved basis sets for tlie third-row nontransition elements (Curtiss et al. 2001). As with G2, a number of minor to major variations of G3 have been proposed to either improve its efficiency or increase its accuracy over a smaller subset of chemical space, e.g., the G3-RAD method of Henry, Sullivan, and Radom (2003) for particular application to radical thermochemistry, the G3(MP2) model of Curtiss et al. (1999), which reduces computational cost by computing basis-set-extension corrections at the MP2 level instead of the MP4 level, and the G3B3 model of Baboul et al. (1999), which employs B3LYP structures and frequencies. 

Figure 56 (a-d) Schematic interlayer structure of the intercalation compounds of the layered niobates and titanates with Ru(bpy)3+ ions. See text for more details. (From Ref. 109b. Copyright 1995 The American Chemical Society.)... 

Figure 8.31. A. Relationship between the " i nuclear quadrupole coupling constants of ATiOs-type titanates and their structural shear strain i(( defined in equation (8.3). B. Relationship between the Ti isotropic chemical shifts (ppm) and the mean Ti-O bond lengths (A) for a series of ATi03 compounds with the perovskite structure. Note that compounds with the ilmenite stmcture do not fit this relationship and are not included here. From Padro et al. (2000), by permission of the copyright owner.

The most common quantum chemical programs—Gaussian (8), GAMESS (9), Turbomole (10), CADPAC (11), ACES II (12), MOLPRO (13), MOLCAS (14), and the newly developed TITAN (15)—are able to run pseudopotential calculations. Please note that CADPAC and MOLCAS can only use so-called ab initio model potentials (AIMPs) in pseudopotential calculations. Such AIMP differ from ECPs in the way that the valence orbitals of the former retain the correct nodal structure, while the lowest-lying valence orbital of an ECP is a nodeless function. Experience has shown that AIMPs do not give better results than ECPs, although the latter do not have the correct nodal behavior of the valence orbitals... 

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