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A new rhenium complex, cis-[ReO(btmp)PPh3Cl2] (2a) with 2-benzothiazolyl-5-methoxyphenol (Hbtmp) has been synthesized and characterized by means of FT-IR, UV-Vis, 1H NMR and elemental analyses. The structural parameters of 2a as obtained from XRD studies have been compared with the calculated [PBEPBE/STMIDI] values. The observed results are in good agreement. The vibrational frequencies, electronic transitions of 2a have been calculated and compared with the experimental results. The global chemical reactivity descriptors based on conceptual density functional theory have also been calculated for a set of analogous systems derived from 2a varying the central metal center (Re or Tc) and substituted phosphine moieties. A good relationship between the calculated hardness (η) and Tolman's cone angle (θ) of phosphines is observed both for Re and Tc complexes. Similar harmony between electronic chemical potential (μ) and Tolman's electronic parameter (ν) of phosphines is also noted. © 2016 Elsevier B.V. All rights reserved.

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Inorganica Chimica Acta

A new oxorhenium(V) complex with benzothiazole derived ligand: Relative stability and global chemical reactivity indices

Oxidative addition of the C-O bond in L2PhB: (L=oxazol-2-ylidene) to an AlI center induced ring expansion of an oxazol-2-ylidene ring, affording a unique organoboron species formally involving either an Al, N, O mixed heterocyclic carbene or anionic (amino)(boryl)carbene fragment. Ring expansion of an oxazol-2-ylidene in L2PhB (L=oxazol-2-ylidene) through cleavage of the C-O bond by AlI resulted in the formation of a unique organoboron species formally involving either an Al, N, O mixed heterocyclic carbene or an anionic (amino)(boryl)carbene fragment. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemistry - A European Journal

Serendipitous Observation of AlI Insertion into a C-O Bond in L2PhB (L=Oxazol-2-ylidene)

The authors report the preparation, crystal structure, and emission properties of Ir(btq)2(acac) (btq = 2-benzo[4,5-]thienylquinoline) (1). The compound has been characterised by UV-vis, fluorescence, MALDI-TOF, and1H and13C NMR spectroscopy. The crystal structure was also elucidated by X-ray diffraction methods. Its characteristics in terms of optical and structural properties are compared with the reported cyclometalated Ir(III) complex Ir(btp)2(acac) (2) (btp = 2-benzo[4,5-]thienylpyridine). Complex 1 shows 53nm red-shift emission compared to the related complex 2. © 2016, Taylor & Francis Group, LLC.

Synthesis and Reactivity in Inorganic, Metal-Organic and Nano-Metal Chemistry

Tuning the Emission Color of Cyclometalated Iridium Complex by Extending the π-Electron Delocalization of the Aromatic Chromophore: Synthesis, Photophysical Properties, and X-Ray Crystal Structure

Mechanochemistry is well-established in the solid-phase synthesis of inorganic materials but has rarely been employed for molecular syntheses. In recent years, there has been nascent interest in 'greener' synthetic methods with less solvent, higher yields, and shorter reaction times being especially appealing to the fine chemicals and inorganic catalyst industries. Herein, we demonstrate that main-group indium(iii) complexes featuring bis(imino)acenaphthene (BIAN) ligands are readily accessible through a mechanochemical milling approach. The synthetic methodology reported herein not only bypasses the use of large solvent quantities and transition metal reagents for ligand synthesis, but also reduces reaction times dramatically. These new main-group complexes exhibit the potential to be reduced to indium(i) compounds, which may be employed as photosensitizers in organic catalyses and functional materials. © 2016 The Royal Society of Chemistry.

Fulltext

Dalton Transactions

A multi-step solvent-free mechanochemical route to indium(III) complexes

Borrowing an idea from the silicon industry, where the charge-carrier's characteristics can be changed through heteroatom implantation, we believe that the charge transport nature of organic semiconductors can be switched through molecular "doping" (co-crystallization). Here, we report a novel molecule 2,7-di-Tert-butyl-10,14-di(thiophen-2-yl)phenanthro[4,5-Abc][1,2,5]thiadiazolo[3,4-i]phenazine (DTPTP), which originally is a p-Type (0.3 cm2 V-1 s-1) compound, and can be switched to an n-Type semiconductor (DTPTP2-TCNQ, 3 × 10-3 cm2 V-1 s-1 under air conditions) through tetracyanoquinodimethane (TCNQ) doping (co-crystallization). Single crystal X-ray studies revealed that TCNQ-doped DTPTP complexes (DTPTP2-TCNQ) adopt a dense one-dimensional (1D) mixed π-π stacking mode with a ratio of DTPTP and TCNQ of 2:1, while pure DTPTP molecules utilize a herringbone-packing pattern. Interestingly, theoretical analysis suggested that there is a quasi-2D electron transport network in this host-guest system. Our research results might provide a new strategy, to switch the charge transport characteristics of an original system by appropriate molecular "doping" (co-crystal engineering). © The Royal Society of Chemistry.

Chemical Science

Switching charge-Transfer characteristics from p-Type to n-Type through molecular "doping" (co-crystallization)

We construct a distinct class of nonlinear displaced Kerr states by application of the displacement operator upon a state which is prepared by sending the well-known photon-added coherent state through a normal Kerr medium. A sketch for the experimental setup for preparing the state is suggested. We evaluate some statistical properties such as the photon number distribution, Mandel's Q parameter, Husimi-Q and Wigner functions, and quadrature squeezing for the nonlinear displaced Kerr state and then analyze the nonclassicality in terms of these standard parameters. We reduce the infinite-level problem to a truncated discrete two-level system by using a low Kerr parameter approximation and then convert the generated nonclassicality into bipartite entanglement between the two modes of an output state of a linear optical device. © 2016 Optical Society of America.

Journal of the Optical Society of America B: Optical Physics

Nonlinear displaced Kerr state and its nonclassical properties

We report on a theoretical and computational investigation of the complex dynamics that arise in a semiconductor laser that is subject to two external, time-delayed, filtered optical feedbacks with special attention to the effect of quantum noise. In particular, we focus on the dynamics of the instantaneous optical frequency (wavelength) and its behavior for a wide range of feedback strengths and filter parameters. In the case of two intermediate filter bandwidths, the most significant results are that in the presence of noise, the feedback strengths required for the onset of chaos in a period doubling route are higher than in the absence of noise. We find that the inclusion of noise changes the dominant frequency of the wavelength oscillations, and that certain attractors do not survive in the presence of noise for a range of filter parameters. The results are interpreted by use of a combination of phase portraits, rf spectra, and first return maps. © 2016 Published by Elsevier B.V.

Optics Communications

Effects of quantum noise on the nonlinear dynamics of a semiconductor laser subject to two spectrally filtered, time-delayed optical feedbacks

In this Letter, we report our experimental results on phase-sensitive amplification (PSA) in a nondegenerate signal-idler configuration using ultranarrow coherent population oscillations in metastable helium at room temperature. We achieved a high PSA gain of nearly 7 with a bandwidth of 200 kHz by using the system at resonance in a single-pass scheme. Further, the measured minimum gain is close to the ideal value, showing that we have a nearly pure PSA. This is also confirmed from our phase-to-phase transfer curves measurements, illustrating that we have a nearly perfect squeezer, which is interesting for a variety of applications. © 2016 Optical Society of America.

Optics Letters

Phase-sensitive amplification via coherent population oscillations in metastable helium at room temperature

The reactivity of diazadiphosphapentalene 1 towards various substrates was investigated. Reaction of 1 with ammonia–borane resulted in transfer hydrogenolysis concomitantly with the cleavage of a P−N bond. By treatment of 1 with 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO), oxidation took place at one of the phosphorus atoms of 1, and a PV/PIIImixed-valence derivative was isolated. At the same time, it was demonstrated that only one of the phosphorus atoms in 1 behaves as an electron donor for electrophiles and Lewis acids. The former afforded an intramolecularly coordinated phosphine-phosphenium species, whereas the latter demonstrates the ligand property of 1. UV irradiation induced rearrangement of 1 into another example of another diazadiphosphapentalene. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.