Structures in tables

The Fluorite Structure.—In Table XI are given the observed interatomic distances in crystals with the fluorite structure. There is good... 

The equilibrium between a and b in Eq. (2) depends on the energies of both the structures. In Table 1 the relative energies of the ethyl cation in the structures a and b, calculated with different methods, are shown. 

We summarize our calculations on the 72- and 36-atom structures in Tables 1 and 2 respectively. ROHF energies were obtained for different electron distributions corresponding to 3 values for the two Fe atoms of(fi ).( > ). and ( , ) These configurations are distinguished by assigning ten, eight or six electrons, respectively, to the open-shell. 

As previously pointed out in Chapter 2, monomeric stannylene can be in equilibrium with oligomeric species which are formed by tin-tin or tin-substituent inter-molecular interactions. The tendency for the formation of the oligomers increases the more the molecules approach one another. Thus, when passing from the vapor to the liquid phase and finally to the solid state, the molecules usually exhibit quite different structures. In Table 13 examples of the corresponding structural changes are given. 

Aza-Wittig rearrangements are grouped according to substrate structure in Table 6. 

A further example of the diazaphosphole synthesis by [3 + 2] cycloaddition is given by the reaction of a phosphoranediyl diazomethane (26) (R = NPr j) with P-chloro-bis(trimethylsilyl)-phosphaethene. The adduct loses trimethylchlorosilane and yields a 3-phosphoranediyl-l,2,4-diazaphosphole (or 3-phosphonio-l,2,4-diazaphospholide) (27). The analogous addition to the trimethylsilyl substituted P-chloro-bis(methylene)phosphorane (28) yields a 4-methylene derivative (29) of this diazaphosphole (molecular structure in Table 1). It provides the only fully characterized example of this type up to 1995. Methyl triflate methylates the compound at N-1 and gives a phosphonio methylene diazaphosphole cation (30). 

Another cationic 3-phosphonio-l,2,4-diazaphosphole derivative (molecular structure in Table 1) results from the reaction of (Ph3PCPCl)2 with trimethylsilyl azide <96th 422-0 i> (see Section 4.22.8.2). 

Phenyl-5-methyl-l,2,3-diazaphosphole on irradiation loses hydrogen and yields the 4,4 -bis(diazaphospholyl) (73) (molecular structure in Table 2) (Equation (7)) <84IZV1182, 85ZOBI464, 88IZV150>. 

Low valent transition metal centers coordinate preferentially to the phosphorus atom of azaphos-pholes, P-Coordinated complexes of 2,5-dimethyl-1,2,3-diazaphosphole with Cr(CO)5 (molecular structure in Table 2), W(CO)5, Fe(CO)4, MnC5H4Me(CO)2 yoJOM(i85)53>, and Pt(PPh3)3 <83JOM(256)375>, of 2,5-dimethyl-4-(dimethylthiophosphoryl)- <80CB2278> and 1,5-dimethyl-1,2,3-... 

Calculated geometries for a small number of diatomic and small polyatomic free radicals are compared with experimental structures in Table 5-18. These have been drawn from a somewhat larger collection provided in Appendix A5 (Tables A5-50 to A5-57). Except for triplet oxygen, all radicals possess a single unpaired electron (they are doublets). The usual set of theoretical models has been examined. All calculations involve use of the unrestricted open-shell SCF approach, where electrons of different spin occupy different orbitals, as opposed to the restricted open-shell SCF approach, where paired electrons are confined to the same orbital (see Chapter 2 for more detailed discussion). 

The already existing database (see structure in Table 1) should be checked using the generated list of potential clients (suppliers and users) to find appropriate partners for ChL business models. 

In addition to the structures in Tables 30—33, commercial quaternary surfactants include of simple tertiary amines ... 

Fig. 13.7. Novel synthesizable compounds (see 2D structures in Table 13.4) produced by LEAP1 searches with high score judged by a project-specific 3D pharmacophore model (red blob basic feature, light blue blob hydrophobe, green vector blob hydrogen bond acceptor).

Adequate x-ray crystallographic studies have been made of some of the structures in Table VII. The end-view cross section of channels in urea- -paraffin complexes is shown in Figure 5 53). The urea (and thiourea) molecules are hydrogen bonded to create hollow cylindrical channels whose walls are helices of linked urea or thiourea. These helices can be right or left handed in a given crystal (but not both). In the orthorhombic structure of the deoxycholic acid complex with acetic acid having a =... 

Chemical shifts (8) are given in p.p.m. downfield from sodium 4,4-dimethyl-4-silapentane-l-sulfonate the values in parentheses are coupling constants (Jia) in Hz. The numbering of the monosaccharide units in the reference compounds corresponds to that in the asialoglycan-Asn (see fundamental structure in Table II). Values from a convolution-difference spectrum. 

The first question to ask when comparing various diode and capacitor sensor structures is how do their sensitivities compare. This question is answered for several hydrogen sensing structures in Table V. 

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