Structure of the deformed terms of the rotational-model optical potential (II)

The microscopic optical matrix potential (OMP^m) for rotational nuclei is constructed. The structure of the non-diagonal elements of OMP^m is investigated and compared with the deformed part of the phenomenological optical potential (OMP^p) employed in analyses of nucleon inelastic scattering data. The deformed form of OMP^p relates the real parts of the phenomenological form factors. This relation is shown to be approximately satisfied by the microscopic form factors. It is proved that the decay amplitudes of complicated compound states to similar channels are correlated, which we call the similar channels effect (SCE). Some channels are similar since the rotational states of the target are obtained from the same intrinsic state. The commonly used deformed imaginary part of OMP^p at very low energies (few MeV or Iess) may be justified as being due to the similar channels effect.     

Rhodium-catalyzed carbonylative arylation of alkynes with arylboronic acids: an efficient and straightforward method in the synthesis of 5-aryl-2(5H)-furanones

5-Aryl-2(5H)-furanones can be synthesized by the Rh-catalyzed reactions of arylboronic acids with internal alkynes under a CO atmosphere.     

Vanishing Derivations and Co-Centralizing Generalized Derivations on Multilinear Polynomials in Prime Rings

Let R be a noncommutative prime ring of characteristic different from 2 with Utumi quotient ring U and extended centroid C, and f(x₁,…, x_n) be a multilinear polynomial over C, which is not central valued on R. Suppose that F and G are two generalized derivations of R and d is a nonzero derivation of R such that d(F(f(r))f(r) ? f(r)G(f(r))) = 0 for all r = (r₁,…, r_n) ∈ Rⁿ, then one of the following holds:

1. There exist a, p, q, c ∈ U and λ ∈C such that F(x) = ax + xp + λx, G(x) = px + xq and d(x) = [c, x] for all x ∈ R, with [c, a ? q] = 0 and f(x₁,…, x_n)² is central valued on R;

2. There exists a ∈ U such that F(x) = xa and G(x) = ax for all x ∈ R;

3. There exist a, b, c ∈ U and λ ∈C such that F(x) = λx + xa ? bx, G(x) = ax + xb and d(x) = [c, x] for all x ∈ R, with b + αc ∈ C for some α ∈C;

4. R satisfies s₄ and there exist a, b ∈ U and λ ∈C such that F(x) = λx + xa ? bx and G(x) = ax + xb for all x ∈ R;

5. There exist a′, b, c ∈ U and δ a derivation of R such that F(x) = a′x + xb ? δ(x), G(x) = bx + δ(x) and d(x) = [c, x] for all x ∈ R, with [c, a′] = 0 and f(x₁,…, x_n)² is central valued on R.

     

Modeling the cyclopolymerization of diallyl ether and methyl α‐[(allyloxy)methyl]acrylate

The free‐radical cyclopolymerization of diallyl ether (1) and methyl α‐(allyloxymethyl)acrylate (2) has been modeled with the B3LYP/6‐31G* methodology, by making use of model compounds for the growing radicals. The cyclization of both monomers is exo, with activation barriers of 5.33 and 9.82 kcal/mol, respectively. To account for the polymerizabilities of these monomers, competing reactions have also been modeled. Although both monomers have a lower barrier for homopolymerization than for cyclization, cyclization dominates due to entropy. This explains the high cyclopolymerization vs. homopolymerization of monomer 2, although its monofunctional counterpart has been reported to homopolymerize well. It has also been shown that the degradative chain transfer by H‐abstraction from the allylic carbon is not effective with this monomer. Poor cyclopolymerization of the monomer 1 has been demonstrated by modeling the degradative chain transfer by H‐abstraction from the allylic carbon, which has been shown to compete very efficiently with polymerization reactions. Additionally, intermolecular propagation reaction has been shown to be facile due to cyclization, since the attacking monomer adopts a cyclic structure. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007     

Group 12 metal aryl selenolates. Crystal and molecular structure of [2-(Et2NCH2)C6H4]2Se2 and [2-(Me2NCH2)C6H4Se]2M (M = Zn, Cd)

Diorganodiselenide [2-(Et₂NCH₂)C₆H₄]₂Se₂ (1) was obtained by hydrolysis/oxidation of the corresponding [2-(Et₂NCH₂)C₆H₄]SeLi derivative. The treatment of [2-(Et₂NCH₂)C₆H₄]₂Se₂ with elemental sodium in THF resulted in [2-(Et₂NCH₂)C₆H₄]SeNa (2). Reactions between alkali metal selenolates [2-(R₂NCH₂)C₆H₄]SeM′ (R = Me, Et; M′ = Li, Na) and MCl₂ (M = Zn, Cd) in a 2:1 molar ratio resulted in the [2-(R₂NCH₂)C₆H₄Se]₂M species [R = Me, M = Zn (3), Cd (4); R = Et, M = Zn (5), Cd (6)]. The new compounds were characterized by multinuclear NMR (¹H, ¹³C, ⁷⁷Se, ¹¹³Cd) and mass spectrometry. The crystal and molecular structures of 1, 3 and 4 revealed monomeric species stabilized by N → Se (for 1) and N → M (for 3 and 4) intramolecular interactions.     

Infrared Spectroscopic Study of Bis[1,2-bis(4-Pyridyl)ethane]cadmium(II) Tetracyanonickelate(II)-m-Xylene (1/2) Clathrate and Its Host Structure

Cd[1,2-bis-(4-pyridyl)ethane]2Ni(CN)4-m-xylene(1/2) clathrate and its host structure were prepared and characterized by chemical analysis and infrared spectroscopy. Vibrational assignments are proposed for the bands of the host lattice and guest molecules.     

Phosphorus–nitrogen compounds. Part VI. Aminolysis of octachlorocyclotetraphosphazatetraene and the crystal structure of 2-trans-6-bis(n-propylamino)-2,4,4,6,8,8-hexakis-tert-butylaminocyclo-2λ, 4λ, 6λ, 8λ-tetraphosphazatetraene

The reactions of 2-trans-6-N₄P₄(NHPrⁿ)₂Cl₆ (2), which was obtained from N₄P₄Cl₈ (1) and n-propylamine, with pyrrolidine and t-butylamine in different solvents have been studied. Compound (2) gave two different products, namely monocyclic (3 and 5) and bicyclic (4 and 6) phosphazenes. Compounds (2–6) have been characterized by elemental analysis, IR, ¹H-, ¹³C-, ³¹P NMR, HETCOR and MS and the structure of compound (5) has been examined crystallographically. The bicyclic phosphazene (6) is the first exciting example of bicyclic phosphazenes containing chlorine atoms, in the literature. The formation mechanisms of bicyclic phosphazenes are re-considered by taking into account the synthesis of compound (6), which contains three stereogenic phosphorus atoms. Compound (5) crystallizes in the monocyclic space group P2₁/n with a=13.974(2), b=17.836(5), and c=18.683(4) Å, β=98.50(1)°, V=4605.4(2) Å³, Z=4 and D_x=1.051 g cm^−3. It consists of a non-centrosymmetric, non-planar phosphazene ring in a saddle conformation, with two n-propylamino (in 2-trans-6 positions) and six bulky t-butylamino side groups. The bulky substituents are instrumental in determining the molecular geometry.