Environment-induced decoherence II. Effect of decoherence on Bell''s inequality for an EPR pair

According to Bell's theorem, the degree of correlation between spatially separated measurements on a quantum system is limited by certain inequalities if one assumes the condition of locality. Quantum mechanics predicts that this limit can be exceeded, making it nonlocal. We analyse the effect of an environment modelled by a fluctuating magnetic field on the quantum correlations in an EPR singlet as seen in the Bell inequality. We show that in an EPR setup, the system goes from the usual ‘violation’ of Bell's inequality to a ‘non-violation’ for times larger than a characteristic time scale which is related to the parameters of the fluctuating field. We also look at these inequalities as a function of the spatial separation between the EPR pair.     

Synthesis and spectral studies on nickel(II) complexes of amide group-containing ligands

Summary Complexes of nickel(II) with N-(2-carboxyphenyl)benzamide (CPBH), 2-amino-N-(2-carboxyphenyl)benzamide (ACPBH), N-isoxazolyl benzamide (IB), N-anilinobenzamide (AB), N-(2-pyridyl)-3-carboxypropanamide (PCPA) and N-(2-pyridyl)-2-carboxybenzamide (PCBA) have been isolated and characterized by elemental analyses, magnetic susceptibility measurements, thermal studies, i.r. and electronic spectral studies. The electrochemical behaviour of some complexes has also been investigated.     

Introduction of heteroatom-based substituents into 1,4-dihydropyridines by means of a halogen-mediated, oxidative protocol: diamination, sulfonylation, sulfinylation, bis-sulfanylation, and halo-phosphonylation processes

The natural tendency of 1,4-dihydropyridines to undergo "biomimetic" oxidation to afford pyridinium salts can be switched off and, through the use of reagents that interact electrophilically with the enamine moiety present in the heterocyclic system, it is possible to promote alternative oxidations. In this way, efficient regio- and stereocontrolled synthetic methods have been developed that lead to diversely substituted di- and tetrahydropyridines. These include iodoazidation, diamination, bis-sulfonamidation, sulfonylation, sulfinylation, thiocyanation, sulfanylation, bis-sulfanylation, and halo-phosphonylation processes.     

Synthesis and characterization of liquid‐crystalline polyphosphonates containing disubstituted ferrocene esters as mesogens

A series of ferrocene‐containing liquid‐crystalline polyphosphonates with an even number of methylene groups are reported. All the polymers gave birefringent melts. The mesophase was identified as transparent with an increase in the spacer. The effects of pendant substitution and the spacer were studied with thermogravimetric analysis and differential scanning calorimetry. The effects of the phosphonate group in the spacer and the ferrocene ester group in the mesogen were examined. The presence of a steplike mesogenic structure and a pendant phenyl group in the spacer led to reductions in the glass‐transition and melting temperatures. The ferrocene moiety in the mesogen might be one of the reasons for the increased thermal stability and decreased liquid crystallinity. An energy‐minimized structure for the mesogenic and spacer segments was created with computer‐modeling programs, and it suggested the reason for the reductions in the glass‐transition and melting temperatures. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 40: 2256–2263, 2002     

Mesoporous material as catalyst for the production of fine chemical: Synthesis of dimethyl phthalate assisted by hydrophobic nature MCM-41

Aluminum, iron and zinc containing MCM-41 molecular sieves were prepared by the hydrothermal method. The catalyst was characterized by the XRD, BET (surface area), FT–IR and ²⁹Si, ²⁷Al MAS–NMR techniques. The catalytic activity of these molecular sieves was tested with esterification reaction used with phthalic anhydride (PAH) and methanol (MeOH) in the autoclave at 135 °C, 150 °C and 175 °C. Conversion increases with an increase in temperature and mole ratio. The activity of these catalysts followed the order: Al-MCM-41 (112) > Fe-MCM-41 (115) > Al-MCM-41 (70) > Al-MCM-41 (52) > Fe-MCM-41 (61) > Al, Zn-MCM-41 (104) > Al-MCM-41 (30). The reaction yielded both monomethyl phthalate (MMP) and dimethyl phthalate (DMP). The nature of the catalyst sites has been proposed using with water as an impurity. The selectivity of the dimethyl phthalate increases with increase in temperature and mole ratio. The weight of the catalyst was optimized at 0.07 g. The hydrophilic and hydrophobic nature of the catalyst has been explained by the influence of water and the external surface acidity also facilitates the reaction and this has been confirmed by the supporting reaction.     

Study of the reaction of chalcone analogs of dehydroacetic acid and o-aminothiophenol: synthesis and structure of 1,5-benzothiazepines and 1,4-benzothiazines

Treatment of α,β-unsaturated carbonyl compounds, obtained by the reaction of DHA and aromatic (or heteroaromatic) aldehydes, with o-aminothiophenol results in the formation of 1,5-benzothiazepines and/or 1,4-benzothiazines depending upon the reaction conditions and structure of the aldehydes. The products were characterized by the combined use of multinuclear 1D and 2D NMR and GIAO/DFT calculations of ¹H, ¹³C and ¹⁵N chemical shifts. The tautomerism of these compounds in solution was determined, they have an exocyclic CC double bond.     

The effect of vibrational bond stretching on rotational inelastic electron-molecule scattering

Differential cross sections for state-to-state rotationally inelastic electron-Na₂ scattering, with the molecule being in the vibrational levelv′'=31, are measured at a collision energy of 150 eV. Angular momentum transfer of up to Δj=26 is observed, which is even more than previously obtained for the vibrational ground statev′'=0. Good agreement is found with theoretical results from a spectator scattering model. This work, in general, elucidates the role of vibrational excitation in collision dynamics under vibrationally sudden conditions.     

Structural features of some small carbonyls in the 1,3nπ states: An mcscf study

Structural features of a series of tetraatomic carbonyls in the ^1,3nπ* states are studied by using a recently proposed MCSCF algorithm at the INDO/2 level. The computed geometrical parameters and the inversion barrier heights agree quite well with the available experimental or ab initio theoretical data. The calculated transition energies turn out to be somewhat lower than the experimental counterparts. The specific MCSCF algorithm used is found to have excellent convergence properties.