Effects of 3d transition metal impurities and vacancy defects on electronic and magnetic properties of pentagonal Pd2S4: competition between exchange splitting and crystal fields.

In this paper, we first investigate the electronic properties of the two-dimensional structure of dichalcogenide Pd2S4. These properties strongly depend on the crystal field splitting which can change by atomic vacancies (S and Pd vacancies). The main purpose of the present paper is to create remarkable magnetic properties in the system by adding 3d transition metal atoms where the presence of Mn, Cr, and Fe creates the exchange interaction in the system as well as change in the crystal field. The created magnetic properties strongly depend on the competition between exchange interaction and crystal field to separate the levels of d orbitals. In addition, the presence of the transition metals in the structures with S and Pd vacancy has been investigated carefully. The calculations demonstrate that we can achieve an extensive range of magnetic moment up to 3.131 [Formula: see text]. The maximum one is obtained in the presence of Mn and absence of sulfur while some of the doped structures does not have magnetic moment. Our results show that Pd vacancy in the presence of Cr, Mn and Fe metals increases the magnetic property of the Pd2S4 structure. The extensiveness and variety of the obtained properties can be used for different magnetic and non-magnetic applications.

The Role of Peer Support Group in Subjective Well-Being of Wives of War Veterans with Post-Traumatic Stress Disorder.

This study aimed to investigate the effect of peer support group on subjective well-being (SWB) of wives of war veterans with post-traumatic stress disorder (PTSD). Selected participants were randomly assigned into intervention and control groups (n = 40 for each group). The intervention group was divided into four subgroups, with each participating in 8 weekly based 1.5 hr peer support group sessions. SWB and its dimensions in the intervention group increased significantly higher than those in the control group (p < 0.001). Peer support group can be a useful tool to enhance SWB in spouses of war veterans with PTSD.

The effect of peer support groups on family adaptation from the perspective of wives of war veterans with posttraumatic stress disorder.

OBJECTIVE: The aim of this study was to examine the effect of peer group support on family adaptation of wives of war veterans suffering from post-traumatic stress disorder (PTSD). DESIGN AND SAMPLE: In this randomized controlled trial, 80 wives of war veterans with PTSD were incorporated, and selected participants were randomly assigned into intervention and control groups (n = 40 per group). The intervention group was divided into four subgroups, with each participating in eight weekly based 1.5-hr peer support group sessions and the control group received no intervention. MEASURES: Demographics form and Family Adaptation Scale (FAS) developed by Antonovsky and Sourani (1988) were applied. RESULTS: The total mean scores of family adaptation increased significantly more in the intervention group than in the control group (p = .033). Furthermore, the time × group interaction effects were significant for internal family fit (p = .013) and a combination of both family fit and family community fit (p = .020) dimensions. Nonetheless family fit dimensions mean scores had no significant increase in the intervention group than the control group over time (p = .948). CONCLUSIONS: Peer support group can be a useful tool for health care professionals to enhance family adaptation in spouses of war veterans with PTSD.

Donor- and/or acceptor-substituted expanded radialenes: theory, synthesis, and properties.

The synthesis of donor- (D) and/or acceptor (A)-expanded [4]radialenes has been developed on the basis of readily available dibromoolefin (7), tetraethynylethene (10 and 20), and vinyl triflate (12) building blocks. The successful formation of D/A radialenes relies especially on (1) effective use of a series alkynyl protecting groups, (2) Sonogashira cross-coupling reactions, and (3) the development of ring closing reactions to form the desired macrocyclic products. The expanded [4]radialene products have been investigated by spectroscopic (UV-vis absorption and emission) and quantum chemical computational methods (density functional theory and time dependent DFT). The combined use of theory and experiment provides a basis to evaluate the extent of D/A interactions via the cross-conjugated radialene framework as well as an interpretation of the origin of D/A interactions at an orbital level.

Synthesis and derivatization of expanded [n]radialenes (n=3, 4).

Versatile, iterative synthetic protocols to form expanded [n]radialenes have been developed (n=3 and 4), which allow for a variety of groups to be placed around the periphery of the macrocyclic framework. The successful use of the Sonogashira cross-coupling reaction to complete the final ring closure demonstrates the ability of this reaction to tolerate significant ring strain while producing moderate to excellent product yields. The resulting radialenes show good stability under normal laboratory conditions in spite of their strained, cyclic structures. The physical and electronic characteristics of the macrocycles have been documented by UV-visible spectroscopy, electrochemical methods, and X-ray crystallography (four derivatives), and these studies provide insight into the properties of these compounds as a function of pendent substitution in terms of conjugation and donor/acceptor functionalization.

Radiaannulenes: synthesis, electrochemistry, and solid-state structure.

Two new carbon-rich macrocycles (radiaannulenes) have been synthesized, and they possess an unsaturated carbon framework that is intermediate between that of linearly-conjugated dehydrobenzannulenes and cross-conjugated expanded radialenes.