Gelation of n3p3[nh(ch2)3si(oet)3]6-n [x]n x = nh(ch2)3si(oet)3, nch3(ch2)3cn and oc6h4(ch2)cn, n = 0 or 3 at the liquid/air/interface

Indexación: ScieloThe compounds N3P3[NH(CH2)3Si(OEt)3]6 (1), N3P3[NH(CH2)3Si(OEt)3]3[NCH3(CH2)3CN]3 (2) and N3P3[NH(CH2)3Si(OEt)3]3 [HOC6H4(CH2)CN]3 (3) undergo slow gelation at the interface oil/air at low temperatures to give perfect gels G1, G2 and G3 respective ly. TEM analysis reveals nanoparticles of silica with mean size of about 10 nm. Pyrolysis under air at 800 °C of these gels affords a mixture of mainly Si5(PO4)6O, SiP2O7 and SiO2. Gelation and pyrolysis products were characterized by IR, solid-state NMR, TEM, SEM-EDAX microscopy and X-ray diffraction. The sol-gel process in the interface liquid /air is discussed in comparison with the usual sol-gel solution process.http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072010000300031&nrm=is

Stereospecific Synthesis of 2,3-Dimethoxynaphtho[1,2-b] indolizidine

(11aS)- and (11aR)-2,3-dimethoxy-naphtho[1,2-b]indolizidine (9a and 9b) were synthesized from optically pure L- and D-glutamic acid through several steps (scheme 1). All the intermediates of the route to the optical antipodes of 9 exhibit identical physical and spectral properties except the sign of the optical rotation values. The optical purity of the enantiomers of 6 was checked by 1H-NMR spectra using Eu(tfc)3, that of the enantiomers of 9 by HPLC-separation on a chiral column; the amount of racemization was less than 3% in 9a and 9b, respectively. Die (11aS)- und (11aR)-2,3-Dimethoxy-naphtho[1,2-b]indolizidine (9a) und (9b) wurden, ausgehend von optisch reiner L- bzw. D-Glutaminsäure, synthetisiert (Schema 1). Alle Zwischenprodukte auf dem Weg zu 9 zeigen identische physikalische und spektrale Eigenschaften mit Ausnahme des Drehsinns. Die optische Reinheit der 6-Enantiomere wurde durch 1H-NMRSpektroskopie mit Eu(tfc)3 bestimmt, die der 9-Enantiomere durch HPLCTrennung auf einer chiralen Säule: die Razemisierungsrate war in 9a und 9b <3%

A Platinum molecular complex immobilised on the surface of graphene as active catalyst in alkyne hydrosilylation

Abstract A platinum complex bearing a N‐heterocyclic carbene (NHC) ligand functionalised with a pyrene‐tag is immobilised onto the surface of reduced graphene oxide (rGO). The hybrid material composed of an organometallic complex and a graphene derivative is ready available in a single‐step process under mild reaction conditions. This methodology preserves the inherent properties of the active catalytic centre and the support. The platinum hybrid material is an efficient catalyst in hydrosilylation of alkynes and can be recycled and reused for ten runs without significant loss of activity due to its high stability. Interestingly, the catalytic properties of the platinum complex are enhanced after immobilisation onto graphene. The influence of graphene in hydrosilylation of alkynes is discussed

Excitation of methyl cyanide in the hot core of Orion

The excitation of CH_3CN in the hot core of Orion is examined using high-sensitivity observational data at 1.3 mm. Observed line fluxes are analyzed by means of multilevel statistical equilibrium (SE) calculations which incorporate current theoretical values of the collisional excitation rates. The analysis is applied to both optically thin models of the hot core region and models with significant optical depths. Trapping is found to play a critical role in the excitation of CH_3CN. An optically thin analysis yields a kinetic temperature of 275 K and a cloud density of 2 x 10^6 cm^(-3). Unequal column densities are deduced in this case for the two symmetry species: N_A = 1.4 x 10^(14) cm^(-2) and N_E = 2.0 x 10^(14) cm^(-2). The deduced cloud density and temperature are lowered to 1.5 x 10^6 cm^(-3) and 240 K. The model with trapping is favored because of the agreement with measured sizes of the hot core source and the more plausible N_A/N_E ratio. Analysis of radiative excitation in the hot core indicates it is unlikely to significantly affect the ground vibrational state populations of CH_3CN. It most likely is significant for excitation of the V_8 band

Systematic calculation of molecular vibrational spectra through a complete Morse expansion

We propose an accurate and efficient method to compute vibrational spectra of molecules, based on exact diagonalization of an algebraically calculated matrix based on powers of Morse coordinate. The present work focuses on the 1D potential of diatomic molecules: as typical examples, we apply this method to the standard Lennard-Jones oscillator, and to the ab initio potential of the H2 molecule. Global cm-1 accuracy is exhibited through the H2 spectrum, obtained through the diagonalization of a 30 x 30 matrix. This theory is at the root of a new method to obtain globally accurate vibrational spectral data in the context of the multi-dimensional potential of polyatomic molecules, at an affordable computational cost.Comment: 30 pages including 6 figure

Electrophilic fluorination methodology

Chapter One This chapter reviews the historical background of the fluorination using both elemental fluorine and N-F reagents. It relates the properties and preparations of these electrophilic reagents. And finally it discusses the use of these reagents in selective electrophilic fluorination (formation of C-F bond from C-H bond) of organic compounds. Chapter Two, Three and Four These chapters present our investigations into the fluorination of hydrocarbon systems containing an electron withdrawing group (ewg).Chapter Two shows the difference in reactivity of elemental fluorine and Selectfluor(^TM) towards aldehydes and ketones. Select fluor gives rise to a-fluorinated compound when reacting with ketones (acyclic and cyclic ones) whereas different results were observed using fluorine. In Chapter Three aldehydes are submitted to fluorination which occurred at the carbonyl and not on the chain. Finally, Chapter Four review the fluorination of nitriles using both fluorinating reagents. Chapter Five In this last Chapter we explore the fluorination of cyclic ethers (hydrocarbon systems containing an electron donating group) using both elemental fluorine and Selectfluor(^TM). Unexpected derivatives were identified. Chanter Six to Nine Experimental details relating to Chapter Two-Five

Synthesis and cytotoxicity of novel thiophene, pyran and pyridine derivatives

The reaction of 2-amino-3-cyano-tetrahydrobenzothiophene 3 with ethyl acetoacetate gave the amide derivatives 5. The reactivity of 5 toward a variety of chemical reagents was studied to give pyrans, pyridines, thiophenes and the thiazoles and their fused derivatives. The structures of the newly synthesized products were confirmed on the basis of their respective analytical and spectral data. The antitumor evaluations of the synthesized compounds against the three cancer cell lines MCF-7, NCI-H460 and SF-268 showed that compounds 9a, 9c, 12a and 14 were of the highest potencies against the three cancer cell lines among the tested compounds.               KEY WORDS: Tetrahydrobenz[b]thiophene, Pyran, Pyridine, Thiophene, Thiazole, Cytotoxicity Bull. Chem. Soc. Ethiop. 2018, 32(2), 259-270.DOI: https://dx.doi.org/10.4314/bcse.v32i2.