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2003 Volume 14 Issue 12
2003, 14(12): 1211-1214
Abstract:
A novel type of chiral molecular clefts consisting of a rigid deoxycholic acid methyl ester backbone and chiral unsymmetrically disubstituted urea side chain have been designed and synthesized. All these new receptors 3a~c and the corresponding key intermediates 1a~c and 2a~c are new compounds, their structures were confirmed by 1HNMR, IR, MS spectra and elemental analysis. These molecular clefts showed binding ability for halide anions.
A novel type of chiral molecular clefts consisting of a rigid deoxycholic acid methyl ester backbone and chiral unsymmetrically disubstituted urea side chain have been designed and synthesized. All these new receptors 3a~c and the corresponding key intermediates 1a~c and 2a~c are new compounds, their structures were confirmed by 1HNMR, IR, MS spectra and elemental analysis. These molecular clefts showed binding ability for halide anions.
2003, 14(12): 1215-1218
Abstract:
A novel cyclic prenylated phenylpropanoid, pondaplin 1, was first synthesized in 26% overall yields through an expeditious route (7 steps) that employed highly regio-and stereoselective phenyltellurenylation to arylacetylene and palladium (II) chloride-catalyzed carbonylation of hydroxy styryl phenyl telluride as key steps.
A novel cyclic prenylated phenylpropanoid, pondaplin 1, was first synthesized in 26% overall yields through an expeditious route (7 steps) that employed highly regio-and stereoselective phenyltellurenylation to arylacetylene and palladium (II) chloride-catalyzed carbonylation of hydroxy styryl phenyl telluride as key steps.
2003, 14(12): 1219-1222
Abstract:
Twenty-six novel benzoylphenylurea chitin inhibitor derivatives have been synthesized in over 30~50% yield from chlorothalonil 1 via sequential fluorine exchange, aminolysis, hydrolysis, decarboxylation and acylation reactions.
Twenty-six novel benzoylphenylurea chitin inhibitor derivatives have been synthesized in over 30~50% yield from chlorothalonil 1 via sequential fluorine exchange, aminolysis, hydrolysis, decarboxylation and acylation reactions.
2003, 14(12): 1223-1226
Abstract:
Twelve novel pyrazolo[4,3-d] pyrimidin-7-ones were synthesized and their structures were confirmed by IR, 1H NMR and MS. Their in vitro bronchodilatory activities were tested in guinea-pigs. The pharmacological results show that compound 11c has more potent activity than aminophylline.
Twelve novel pyrazolo[4,3-d] pyrimidin-7-ones were synthesized and their structures were confirmed by IR, 1H NMR and MS. Their in vitro bronchodilatory activities were tested in guinea-pigs. The pharmacological results show that compound 11c has more potent activity than aminophylline.
2003, 14(12): 1227-1229
Abstract:
A series of optically active N-protected 1,2-amino alcohols were synthesized via the reduction of the corresponding α-aminoketones starting from the readily available L-amino acids.
A series of optically active N-protected 1,2-amino alcohols were synthesized via the reduction of the corresponding α-aminoketones starting from the readily available L-amino acids.
2003, 14(12): 1230-1232
Abstract:
A new photochromic compound containing pyrazolone-ring was synthesized, and its crystal structure was determined on X-ray singlecrystal diffraction, which belongs to monoclinic crystal system, space group P21/c. The UV spectrum of the compound is studied.
A new photochromic compound containing pyrazolone-ring was synthesized, and its crystal structure was determined on X-ray singlecrystal diffraction, which belongs to monoclinic crystal system, space group P21/c. The UV spectrum of the compound is studied.
2003, 14(12): 1233-1235
Abstract:
The photolysis of thymine in phosphate-buffered saline (PBS, pH 8.0) under the irradiation of medium pressure mercury lamp (MPML) produces a novel compound C5H7N2O6P. The composition and structure of the compound have been identified by elemental analysis, EI-MS, UV, IR, 1H, 13C, 31P-NMR.
The photolysis of thymine in phosphate-buffered saline (PBS, pH 8.0) under the irradiation of medium pressure mercury lamp (MPML) produces a novel compound C5H7N2O6P. The composition and structure of the compound have been identified by elemental analysis, EI-MS, UV, IR, 1H, 13C, 31P-NMR.
2003, 14(12): 1236-1238
Abstract:
In this paper the effect of catalyst and carrier in electric field enhanced plasma on methane conversion into C2 hydrocarbons was investigated. Methane coupling reaction was studied in the system of continuous flow reactor on Ni, MoO3, MnO2 catalysts and different ZSM-5 carriers. The per pass conversion of methane can be as high as 22%, the selectivity of ethylene can be as high as 23.8%, of acetylene 60.8%, of ethane 5.4% and of total C2 hydrocarbons was more than 90%. ZSM-5-25 was the better carrier and MnO2 was the better active component. The efficiency of energy was as high as 7.81%.
In this paper the effect of catalyst and carrier in electric field enhanced plasma on methane conversion into C2 hydrocarbons was investigated. Methane coupling reaction was studied in the system of continuous flow reactor on Ni, MoO3, MnO2 catalysts and different ZSM-5 carriers. The per pass conversion of methane can be as high as 22%, the selectivity of ethylene can be as high as 23.8%, of acetylene 60.8%, of ethane 5.4% and of total C2 hydrocarbons was more than 90%. ZSM-5-25 was the better carrier and MnO2 was the better active component. The efficiency of energy was as high as 7.81%.
2003, 14(12): 1239-1241
Abstract:
A series of 5-arylidene thiobarbituric acids were prepared from aromatic aldehydes and thiobarbituric acid in water without catalyst conditions in good yields. The structures were characterized by elemental analysis, IR and 1H NMR spectra.
A series of 5-arylidene thiobarbituric acids were prepared from aromatic aldehydes and thiobarbituric acid in water without catalyst conditions in good yields. The structures were characterized by elemental analysis, IR and 1H NMR spectra.
2003, 14(12): 1242-1245
Abstract:
The condensation of aromatic aldehydes with acidic methylene compounds such as malononitrile, methyl cyanoacetate, cyanoacetamide, 5,5-dimethyl-1,3-cyclohexanedione, bartbituric acid and 2-thiobarbituric acid proceeded very efficiently in water in the presence of triethylbenzylammonium chloride (TEBA) and the products were isolated simply by filtration.
The condensation of aromatic aldehydes with acidic methylene compounds such as malononitrile, methyl cyanoacetate, cyanoacetamide, 5,5-dimethyl-1,3-cyclohexanedione, bartbituric acid and 2-thiobarbituric acid proceeded very efficiently in water in the presence of triethylbenzylammonium chloride (TEBA) and the products were isolated simply by filtration.
2003, 14(12): 1246-1248
Abstract:
The rate of formation of aldol condensation products by being ground acetylferrocene and various aromatic aldehydes without solvent was dramatically enhanced comparing to the conventional methods. The yield is high (84%-96%) at room temperature.
The rate of formation of aldol condensation products by being ground acetylferrocene and various aromatic aldehydes without solvent was dramatically enhanced comparing to the conventional methods. The yield is high (84%-96%) at room temperature.
2003, 14(12): 1249-1252
Abstract:
A new kind of polytitanosilazane precursor PTSZ for Si/C/N/Ti-based ceramic was synthesized from the condensation reaction of silazane lithium salt and titanium tetrachloride (TiCl4). The results indicated that the ceramic yield of PTSZ was much higher than that of corresponding silazane oligomer.
A new kind of polytitanosilazane precursor PTSZ for Si/C/N/Ti-based ceramic was synthesized from the condensation reaction of silazane lithium salt and titanium tetrachloride (TiCl4). The results indicated that the ceramic yield of PTSZ was much higher than that of corresponding silazane oligomer.
2003, 14(12): 1253-1254
Abstract:
A new isopropenyl benzofuran-type tetramer was isolated from the roots of ligularia stenocephala and its structure was established by spectroscopic methods.
A new isopropenyl benzofuran-type tetramer was isolated from the roots of ligularia stenocephala and its structure was established by spectroscopic methods.
2003, 14(12): 1255-1258
Abstract:
A new cyclic octapeptide, bandunamide, was isolated from the acetone extracts of streptomyces griseovariabilis bandungensis. This cyclic octapeptide exhibits strong antimicrobial activity against Phytophthora drechsleri (IC50=15 ng/mL), Colletotrchum higginsiannum (IC50=15.6 ng/mL), Piricularia oxyzae (IC50=0.2 μg/mL), and Fusarium oxysporum f. Sp. (IC50=100 μg/mL). The structure elucidation of bandunamide is herein reported.
A new cyclic octapeptide, bandunamide, was isolated from the acetone extracts of streptomyces griseovariabilis bandungensis. This cyclic octapeptide exhibits strong antimicrobial activity against Phytophthora drechsleri (IC50=15 ng/mL), Colletotrchum higginsiannum (IC50=15.6 ng/mL), Piricularia oxyzae (IC50=0.2 μg/mL), and Fusarium oxysporum f. Sp. (IC50=100 μg/mL). The structure elucidation of bandunamide is herein reported.
2003, 14(12): 1259-1260
Abstract:
A new furostanol component glycosylated only at C-26 was isolated from the rhizomes of Polygonatum odoratum (Mill.) Druce, and its structure was characterized as 22-hydroxy-25(R and S) furost-5-en-12-on-3β, 22, 26-triol 26-O-β-D-glucopyranoside on the basis of spectroscopic techniques and chemical methods.
A new furostanol component glycosylated only at C-26 was isolated from the rhizomes of Polygonatum odoratum (Mill.) Druce, and its structure was characterized as 22-hydroxy-25(R and S) furost-5-en-12-on-3β, 22, 26-triol 26-O-β-D-glucopyranoside on the basis of spectroscopic techniques and chemical methods.
2003, 14(12): 1261-1264
Abstract:
Two new C-22 steroidal lactone glycosides, named dracaenoside A and B were isolated from the methanol extract of the fresh stem of Dracaena cochinchinensis. Their structures were established as (20S)3β,14α,16β-trihydroxy pregn-5-ene-22-carboxylic acid (22,16)-lactone 3-O-α-L-rhamnopyranosyl (1→2)[α-L-rhamnopyranosyl (1→4)]-β-D-glucopyranoside and (20S)3β, 14α, 16β-trihydroxy pregn-5-ene-22-carboxylic acid (22,16)-lactone 3-O-α-L-rhamnopyranosyl (1→2)[(-D-glucopyranosyl(1→3)]-β-D-glucopyranoside by means of 2D NMR spectral and chemical methods. It is the first time that steroidal lactone glycosides were isolated from the genus Dracaena.
Two new C-22 steroidal lactone glycosides, named dracaenoside A and B were isolated from the methanol extract of the fresh stem of Dracaena cochinchinensis. Their structures were established as (20S)3β,14α,16β-trihydroxy pregn-5-ene-22-carboxylic acid (22,16)-lactone 3-O-α-L-rhamnopyranosyl (1→2)[α-L-rhamnopyranosyl (1→4)]-β-D-glucopyranoside and (20S)3β, 14α, 16β-trihydroxy pregn-5-ene-22-carboxylic acid (22,16)-lactone 3-O-α-L-rhamnopyranosyl (1→2)[(-D-glucopyranosyl(1→3)]-β-D-glucopyranoside by means of 2D NMR spectral and chemical methods. It is the first time that steroidal lactone glycosides were isolated from the genus Dracaena.
2003, 14(12): 1265-1267
Abstract:
Two new cycloartane triterpenes were separated from the leaves of Quercus valiabilis Blume. The structures were identified as 4α,14α-dimethyl-9β,19-cycloergost-3α-yl-24-one and 4α,14α-dimethyl-9β,19-cycloergost-24(24')-en-3α-yl-acetate.
Two new cycloartane triterpenes were separated from the leaves of Quercus valiabilis Blume. The structures were identified as 4α,14α-dimethyl-9β,19-cycloergost-3α-yl-24-one and 4α,14α-dimethyl-9β,19-cycloergost-24(24')-en-3α-yl-acetate.
2003, 14(12): 1268-1270
Abstract:
Two new diacetylated flavonol glycosides, kampferol-3-O-β-3", 6"-diacetylglucopyrano- side and quercetin-3-O-β-3", 6"-diacetylglucopyranoside were isolated from knoxia corymbosa. Their structures were elucidated by spectroscopic evidents.
Two new diacetylated flavonol glycosides, kampferol-3-O-β-3", 6"-diacetylglucopyrano- side and quercetin-3-O-β-3", 6"-diacetylglucopyranoside were isolated from knoxia corymbosa. Their structures were elucidated by spectroscopic evidents.
2003, 14(12): 1271-1274
Abstract:
Two new metabolites, namely bisline lactone and isolinecic acid lactone, were isolated from the resultant incubates after a scale-up incubation of isoline with rat liver microsomes. Their structures were determined by spectroscopic data, especially those from 1D and 2D NMR experiments.
Two new metabolites, namely bisline lactone and isolinecic acid lactone, were isolated from the resultant incubates after a scale-up incubation of isoline with rat liver microsomes. Their structures were determined by spectroscopic data, especially those from 1D and 2D NMR experiments.
Studies on the Interaction of Beryllon Ш with Proteins by Voltammetric Technique and its Application
2003, 14(12): 1275-1277
Abstract:
A new quantitative determination method of proteins using beryllon Ш by voltammetric technique was developed in this paper. In pH 3.5 Britton-Robinson (B-R) buffer solution, beryllon Ш can bind with human serum albumin (HSA) to form an electro-inactive supermolecular complex. Beryllon Ш has a well-defined voltammetric reduction peak at -0.38 V (vs. SCE) and the addition of protein in this solution can cause the decrease of the reductive peak current. Based on the decrease of the reduction peak current, a new electrochemical method for the determination of HSA was established with linear range of 1.0~40.0 mg/L and the detection limit of 1.0 mg/L. This method is further applied to the determination of real sample of healthy human serum.
A new quantitative determination method of proteins using beryllon Ш by voltammetric technique was developed in this paper. In pH 3.5 Britton-Robinson (B-R) buffer solution, beryllon Ш can bind with human serum albumin (HSA) to form an electro-inactive supermolecular complex. Beryllon Ш has a well-defined voltammetric reduction peak at -0.38 V (vs. SCE) and the addition of protein in this solution can cause the decrease of the reductive peak current. Based on the decrease of the reduction peak current, a new electrochemical method for the determination of HSA was established with linear range of 1.0~40.0 mg/L and the detection limit of 1.0 mg/L. This method is further applied to the determination of real sample of healthy human serum.
2003, 14(12): 1278-1280
Abstract:
The mixtures of two polymers, poly (N,N-dimethylacrylamide) (PDMA) and polyvinylpyrrolidone (PVP) were synthesized and used as the separation medium for double-stranded and single-stranded DNA fragments by capillary electrophoresis with UV detector. On optimal conditions, 2%w/v PDMA (2%w/v PVP can be used to separate the doublet 123/124bp in pBR322/Hae III Markers.
The mixtures of two polymers, poly (N,N-dimethylacrylamide) (PDMA) and polyvinylpyrrolidone (PVP) were synthesized and used as the separation medium for double-stranded and single-stranded DNA fragments by capillary electrophoresis with UV detector. On optimal conditions, 2%w/v PDMA (2%w/v PVP can be used to separate the doublet 123/124bp in pBR322/Hae III Markers.
2003, 14(12): 1281-1284
Abstract:
A new chemical oscillating reaction system involving the manganese(II)-catalyzed reaction among potassium bromate, acetone and tyrosine in acidic medium was described in this paper. The apparent activation energy of the induction period (Ein) and that of oscillation period (Ep) were calculated, Ein=110.61 KJ/mol, Ep=159.41KJ/mol. The optimum concentration of each reactant was investigated and a steady chemical oscillating system was obtained.
A new chemical oscillating reaction system involving the manganese(II)-catalyzed reaction among potassium bromate, acetone and tyrosine in acidic medium was described in this paper. The apparent activation energy of the induction period (Ein) and that of oscillation period (Ep) were calculated, Ein=110.61 KJ/mol, Ep=159.41KJ/mol. The optimum concentration of each reactant was investigated and a steady chemical oscillating system was obtained.
2003, 14(12): 1285-1288
Abstract:
A mesoporous titanium/silicon-containing montmorillonite-based catalytic materials has been synthesized by novel gallery-templated techniques. XRD, SEM, framework IR, and N2 adsorption-desorption isotherms provided evidence of the formation of Si/Ti pillars. The synthetic materials show potential catalytic application for hydroxylation of phenol with peroxide.
A mesoporous titanium/silicon-containing montmorillonite-based catalytic materials has been synthesized by novel gallery-templated techniques. XRD, SEM, framework IR, and N2 adsorption-desorption isotherms provided evidence of the formation of Si/Ti pillars. The synthetic materials show potential catalytic application for hydroxylation of phenol with peroxide.
2003, 14(12): 1289-1292
Abstract:
Comblike poly(methyl methacrylate) was synthesized by atom transfer radical polymerization of methyl methacrylate with poly(ethyl 2-bromoacrylate) as a macroinitiator, which was prepared by conventional free radical polymerization of ethyl 2-bromoacrylate. The obtained comblike polymers were characterized by GPC and 1H NMR.
Comblike poly(methyl methacrylate) was synthesized by atom transfer radical polymerization of methyl methacrylate with poly(ethyl 2-bromoacrylate) as a macroinitiator, which was prepared by conventional free radical polymerization of ethyl 2-bromoacrylate. The obtained comblike polymers were characterized by GPC and 1H NMR.
2003, 14(12): 1293-1295
Abstract:
Carbon nanotubes (CNTS) coating with europium oxide by a simple method is reported in this letter for the first time. The CNTS were refluxed in a solution of nitric acid containing europium nitrate, and the pH value was subsequently ajusted with ammonia solution. At last, the mixture was filtered and annealed. The TEM micrograph showed that the CNTS were covered with a uniform thin layer with thickness of about 15 nm. The XRD results revealed that the CNTS were coated with europium oxide.
Carbon nanotubes (CNTS) coating with europium oxide by a simple method is reported in this letter for the first time. The CNTS were refluxed in a solution of nitric acid containing europium nitrate, and the pH value was subsequently ajusted with ammonia solution. At last, the mixture was filtered and annealed. The TEM micrograph showed that the CNTS were covered with a uniform thin layer with thickness of about 15 nm. The XRD results revealed that the CNTS were coated with europium oxide.
2003, 14(12): 1296-1298
Abstract:
With inorganic salts such as LiNO3, Li2CO3, surface-coated LiMn2O3.95F0.05 were prepared by melt-impregnation method. When these surface-coated LiMn2O3.95F0.05 were used as cathode materials, their charge-discharge characters were carefully compared. As a result, they exhibited good charge-discharge properties at 50℃ high temperature. Especially, LiNO3 surface-coated LiMn2O3.95F0.05 retained nearly 80% initial reversible capacity after 130 cycles at 50℃.
With inorganic salts such as LiNO3, Li2CO3, surface-coated LiMn2O3.95F0.05 were prepared by melt-impregnation method. When these surface-coated LiMn2O3.95F0.05 were used as cathode materials, their charge-discharge characters were carefully compared. As a result, they exhibited good charge-discharge properties at 50℃ high temperature. Especially, LiNO3 surface-coated LiMn2O3.95F0.05 retained nearly 80% initial reversible capacity after 130 cycles at 50℃.
2003, 14(12): 1299-1302
Abstract:
A novel hollow microsphere structure with cancrinite zeolite grown from the shell of fly ash cenosphere has been successfully prepared through in situ transformation in vapor phase; the orientation and morphology of cancrinite can be greatly improved by adding tetrapropylammonium hydrate into the synthetic system.
A novel hollow microsphere structure with cancrinite zeolite grown from the shell of fly ash cenosphere has been successfully prepared through in situ transformation in vapor phase; the orientation and morphology of cancrinite can be greatly improved by adding tetrapropylammonium hydrate into the synthetic system.
2003, 14(12): 1303-1305
Abstract:
A divalent ion doped LiNi0.8Co0.2O2 solid solution, LiNi0.79Co0.20Ca0.01O2, was synthesized in air at 720℃. The structure and electrochemical property as cathode material of lithium ion batteries were measured by XRD and charge-discharge system. The solid solution showed high capacity and good cycle-ability. The second discharged capacity reached 190 mAh·g-1 at the current density of 100 mA·g-1.
A divalent ion doped LiNi0.8Co0.2O2 solid solution, LiNi0.79Co0.20Ca0.01O2, was synthesized in air at 720℃. The structure and electrochemical property as cathode material of lithium ion batteries were measured by XRD and charge-discharge system. The solid solution showed high capacity and good cycle-ability. The second discharged capacity reached 190 mAh·g-1 at the current density of 100 mA·g-1.
2003, 14(12): 1306-1308
Abstract:
The hydrolysis of tetraethoxysilane (TEOS) occurred on the surface of poly(methyl methacrylate) (PMMA) microshperes immediately after these microshperes were prepared in TEOS. Micron-sized hollow SiO2 spheres were obtained by calcination of the coated PMMA microshperes. It was found that the final hollow spheres were constituted by small SiO2 particles.
The hydrolysis of tetraethoxysilane (TEOS) occurred on the surface of poly(methyl methacrylate) (PMMA) microshperes immediately after these microshperes were prepared in TEOS. Micron-sized hollow SiO2 spheres were obtained by calcination of the coated PMMA microshperes. It was found that the final hollow spheres were constituted by small SiO2 particles.
2003, 14(12): 1309-1312
Abstract:
The degradation mechanism of Cationic Red X-GRL was investigated when the intermediates, the nitrate ion and the pH were analyzed in the ozonation. The degradation of the Cationic Red X-GRL includes the de-auxochrome stage, the decolour stage, and the decomposition of fragment stage. During the degradation process, among the six nitrogen atoms of Cationic Red X-GRL, one is transferred into a nitrate ion, one becomes the form of an amine compound, and the rest four are transformed into two molecules of nitrogen. In the course of the ozonation of Cationic Red X-GRL, the direct attack of ozone is the main decolour effect.
The degradation mechanism of Cationic Red X-GRL was investigated when the intermediates, the nitrate ion and the pH were analyzed in the ozonation. The degradation of the Cationic Red X-GRL includes the de-auxochrome stage, the decolour stage, and the decomposition of fragment stage. During the degradation process, among the six nitrogen atoms of Cationic Red X-GRL, one is transferred into a nitrate ion, one becomes the form of an amine compound, and the rest four are transformed into two molecules of nitrogen. In the course of the ozonation of Cationic Red X-GRL, the direct attack of ozone is the main decolour effect.
2003, 14(12): 1313-1316
Abstract:
Nitronyl nitroxide radical 1, NIT (4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxyl-3-oxide) and copper(II) chloride complexes with nitronyl nitroxide 2,[Cu(NITPh)2Cl2] (NITPh=2-phenyl-4,4,5,5-tetramethyl-imidazoline-1-oxyl-3-oxide) were studied with density functional theory (DFT). The magnetic orbital analysis reveals that the antiferromagnetic coupling for complex 2 is due to the antibonding σ*-orbital overlap between dx2-y2 (Cu) and π* (NO) orbitals. Also, spin population and atomic charge distribution analysis suggest that for AFS of complex 2 the antiferromagnetic coupling between the radical ligands and the copper(II) ion originates from the spin delocalization induced by the α electron transfer from π*(NO) to dx2-y2 (Cu) orbital.
Nitronyl nitroxide radical 1, NIT (4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxyl-3-oxide) and copper(II) chloride complexes with nitronyl nitroxide 2,[Cu(NITPh)2Cl2] (NITPh=2-phenyl-4,4,5,5-tetramethyl-imidazoline-1-oxyl-3-oxide) were studied with density functional theory (DFT). The magnetic orbital analysis reveals that the antiferromagnetic coupling for complex 2 is due to the antibonding σ*-orbital overlap between dx2-y2 (Cu) and π* (NO) orbitals. Also, spin population and atomic charge distribution analysis suggest that for AFS of complex 2 the antiferromagnetic coupling between the radical ligands and the copper(II) ion originates from the spin delocalization induced by the α electron transfer from π*(NO) to dx2-y2 (Cu) orbital.
2003, 14(12): 1317-1320
Abstract:
Quasiclassical trajectory calculation (QCT) is used frequently for studying collisional energy transfer between highly vibrationally excited molecules and bath gases. In this paper, the QCT of the energy transfer between highly vibrationally excited C6F6 and N2,O2 and ground state C6F6 were performed. The results indicate that highly vibrationally excited C6F6 transferred vibrational energy to vibrational distribution of N2, O2 and ground state C6F6, so they are V-V energy transfer. Especially it is mainly V-V resonance energy transfer between excited C6F6 and ground state C6F6, excited C6F6 transfers more vibrational energy to ground state C6F6 than to N2 and O2. The values of QCT,-<△Evib>of excited C6F6 are smaller than those of experiments.
Quasiclassical trajectory calculation (QCT) is used frequently for studying collisional energy transfer between highly vibrationally excited molecules and bath gases. In this paper, the QCT of the energy transfer between highly vibrationally excited C6F6 and N2,O2 and ground state C6F6 were performed. The results indicate that highly vibrationally excited C6F6 transferred vibrational energy to vibrational distribution of N2, O2 and ground state C6F6, so they are V-V energy transfer. Especially it is mainly V-V resonance energy transfer between excited C6F6 and ground state C6F6, excited C6F6 transfers more vibrational energy to ground state C6F6 than to N2 and O2. The values of QCT,-<△Evib>of excited C6F6 are smaller than those of experiments.
