AIM Study on the Reaction of CH2SH Radical with Fluorine Atom

The reaction of CH2SH radical with fluorine atom was studied at the levels of B3LYP/6-311G（d,p） and MP2（Full）/6-311G（d,p）. The computational results show that the reaction has three channels and proceeds by the addition of fluorine atoms on carbon or sulfur sites of CH2SH, forming initial intermediates. The calculated results show that the channel, in which fluorine attaches to the carbon atom to form CH2S and HF, is the most likely reaction pathway. Topological analysis of electron density was carried out for the three channels. The change trends of the chemical bonds on the reaction paths were discussed. The energy transition states and the structure transition regions （states） of the three channels were found. The calculated results show that the structure transition regions are broad in unobvious exothermic reactions or unobvious endothermic reactions, and are narrow in obvious exothermic reactions or obvious endothermic reactions.

SYNTHESIS OF MAIN CHAIN LIQUID CRYSTALLINE COPOLYESTERS WITH X-SHAPED TWO-DIMENSIONAL MESOGENIC UNIT AND CROWN ETHER CYCLE

A novel series of main chain liquid crystalline copolyesters with X-shaped two-dimensional mesogenic unit and crown ether cycle of cis-4,4＇-bis（4-hydroxyphenylazo） dibenzo-18-crown-6 was prepared via solution condensation polymerization from 4,4＇-（a;arhexanedioyloxy） dibenzoyl dichloride （MI）, 2,5-bis（p-octyloxybenzoyloxy） hydro-quinone （M2） and cis-4,4＇-bis（4-hydroxyphenylazo） dibenzo-18-crown-6 （M3）. Monomer MI was synthesized by esterification and substitution of adipoyl chloride with p-hydroxybenzoic acid, monomer M2 was synthesized by esterfication and reduction reaction of 2,5-dihydroxybenzoquinone and p-octanoxybenzoyl chloride and monomer M3 was synthesized by diazotization and coupling reaction of cis-diaminodibenzo-18-crown-6 with phenol. The molecular weights of copolyesters are not high, and the intrinsic viscosity [η] of copolyesters ranges from 0.25-0.35. The monomers＇ structures were identified by using elemental analysis, IR, UV, ^1H-NMR, MS, etc. All the copolyesters are yellowish powders and insoluble in THF and CHC13 at room temperature except cPg. The properties of copolyesters were investigated by using GPC, [η] , DSC, TG, WAXD and POM. It was found that all the copolyesters entered into liquid crystal phase when they were heated to above their melting temperature （Tin）. The typical smectic and nematic phase texture can be observed on POM. Their mesophase transition temperature and thermal stability change regularly with varying the content of cis-4,4＇-bis（4-hydroxyphenylazo） dibenzo-18-crown-6 unit in the copolyesters.

Measurement of wireless pressure sensors fabricated in high temperature co-fired ceramic MEMS technology

High temperature co-fired ceramics(HTCCs) have wide applications with stable mechanical properties,but they have not yet been used to fabricate sensors.By introducing the wireless telemetric sensor system and ceramic structure embedding a pressure-deformable cavity,the designed sensors made from HTCC materials(zirconia and 96% alumina) are fabricated,and their capacities for the pressure measurement are tested using a wireless interrogation method.Using the fabricated sensor,a study is conducted to measure the atmospheric pressure in a sealed vessel.The experimental sensitivity of the device is 2 Hz/Pa of zirconia and 1.08 Hz/Pa of alumina below 0.5 MPa with a readout distance of 2.5 cm.The described sensor technology can be applied for monitoring of atmospheric pressure to evaluate important component parameters in harsh environments.

Liquid crystal character controlled by complementary discotic molecules mixtures： Columnar stacking type and mesophase temperature range

In this work, the mesophase properties were tuned via mixing two discotic molecules with structural complementarity. Compared with the liquid crystalline hexakis（n-hexyloxy）triphenylene（H6TP）materials（columnar hexagonal phase from 53 ℃ to 91 ℃）, mesophase types as well as phase transition temperatures varied with the introduction of crystalline hexaazatriphenylene derivative（PBH）molecules. The introduction of less than 33% amount of PBH disrupted the columnar hexagonal phase formed by H6 TP remarkably, followed by the decreased clearing temperatures of liquid crystals. As the PBH amount was further increased, the destroyed columnar hexagonal phase was turned into the columnar rectangular phase, in which H6 TP and PBH molecules together formed the columnar mesophase. The formation of new mesophase contributed to the enlarged mesophase temperature（from44 ℃ to 144 ℃）. We speculated that the alkyl chains interaction induced by the PBH component competed with the strong p–p stacking between H6 TP molecules, thus altering the liquid crystalline properties including mesophase types and phase transition temperatures.