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Microwave spectrum, structure and dipole moment of 3-fluorophenylacetylene (3FPA)
Jang, H.,Ka, S.,Peebles, S.A.,Peebles, R.A.,Oh, J.J. Elsevier Scientific Pub. Co 2016 Journal of molecular structure Vol.1125 No.-
The 6-18 GHz rotational spectrum of 3-fluorophenylacetylene (3FPA) was measured by chirped-pulse Fourier-transform microwave (CP-FTMW) spectroscopy. Rotational constants and quartic centrifugal distortion constants based on a Watson-A reduction were determined with 89 transitions; A = 3383.73821 (33) MHz, B = 1180.97617 (16) MHz, C = 875.26172 (12) MHz, Δ<SUB>J</SUB> = 0.0382 (13) kHz, Δ<SUB>K</SUB> = 1.316 (21) kHz, δ<SUB>J</SUB> = 13.93 (56) Hz, and δ<SUB>K</SUB> = 180.3 (60) Hz. An additional 12-13 transitions for each of eight <SUP>13</SUP>C isotopic species and Stark effects to determine dipole moment components were observed by Balle-Flygare FTMW spectroscopy. Gas phase molecular structures of 3FPA were derived via the least-square fitting (r<SUB>0</SUB>) and substitution (r<SUB>s</SUB>) methods using the moments of inertia of the isotopic species. The ring geometry is discussed and compared with previous studies of structures of monosubstituted benzene and crystalline solid structures of 3FPA.
Microwave spectrum, structure and dipole moment of 4-fluorophenylacetylene (4FPA)
Jang, Heesu,Ka, Soohyun,Dikkumbura, Asela S.,Peebles, Rebecca A.,Peebles, Sean A.,Oh, Jung Jin Elsevier 2017 Journal of molecular structure Vol.1133 No.-
<P><B>Abstract</B></P> <P>Using a chirped-pulse Fourier-transform microwave (CP-FTMW) spectrometer, a 6–18 GHz spectrum of 4-fluorophenylacetylene (4FPA) was measured and only <I>a</I>-type <I>R</I>-branch transitions were observed up to <I>J</I> = 9. Rotational constants and quartic centrifugal distortion constants for the normal isotopic species were determined based on Watson-S reduction: <I>A</I> = 5652.812(22) <I>MHz</I>, <I>B</I> = 966.92885(11) <I>MHz</I>, <I>C</I> = 825.67680(11) <I>MHz</I>, <I>D</I> <SUB> <I>J</I> </SUB> = 0.01377(60) <I>kHz</I>, and <I>D</I> <SUB> <I>JK</I> </SUB> = 0.2468(61) <I>kHz</I>, with other three distortion constants fixed as <I>D</I> <SUB> <I>K</I> </SUB> = 0.6629 <I>kHz</I>, <I>d</I> <SUB> <I>1</I> </SUB> = 2.386 <I>Hz</I>, and <I>d</I> <SUB> <I>2</I> </SUB> = 0.989 <I>Hz</I> from <I>ab initio</I> results. For six kinds of carbon-13 isotopic species, 10–15 transitions were detected by a resonant cavity FTMW spectrometer in natural abundance, and rotational constants of each species were also determined by fitting transition frequencies. Gaseous molecular structures of 4FPA were derived via the least-squares fitting (<I>r</I> <SUB> <I>0</I> </SUB>) and substitution (<I>r</I> <SUB> <I>s</I> </SUB>) methods, and <I>ab initio</I> optimization (<I>r</I> <SUB> <I>e</I> </SUB>). They were compared to the structures of benzene derivatives having fluorine and the acetylenic group as substituents. In addition, dipole moment component of 4FPA was also determined to be μ<SUB>a</SUB> = μ<SUB>total</SUB> = 0.8935(9) D from Stark effect measurements.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Microwave spectrum for the parent and six <SUP>13</SUP>C isotopic species has been measured. </LI> <LI> Rotational constants and centrifugal distortion constants of 4FPA have been determined. </LI> <LI> The r<SUB>0</SUB> and r<SUB>s</SUB> structures have been compared with the <I>ab initio</I> structure. </LI> <LI> Dipole moments were derived from Stark effect coefficients. </LI> </UL> </P>
Microwave spectrum of 1-bromobutane
Kim, J.,Jang, H.,Ka, S.,Obenchain, D.A.,Peebles, R.A.,Peebles, S.A.,Oh, J.J. Academic Press 2016 Journal of molecular spectroscopy Vol.328 No.-
The rotational spectrum of 1-bromobutane has been measured in the range of 8-18GHz using a 480MHz bandwidth chirped-pulse Fourier transform microwave (CP-FTMW) spectrometer. 1-bromobutane has five conformers; aa, ag, ga, gg, gg'. Spectra for the <SUP>79</SUP>Br isotopic species and <SUP>81</SUP>Br isotopic species were observed and assigned for the three lowest energy conformers, aa, ga, and gg. Consequentially, the rotational constants, nuclear quadrupole coupling constants, and centrifugal distortion constants were determined and the dipole moment of the aa conformer with <SUP>79</SUP>Br was measured. All the experimental data are in good agreement with the ab initio calculations.
Spectral tomographic analysis of Bremsstrahlung X-rays generated in a laser-produced plasma
Rhee, Y.J.,Nam, S.M.,Peebles, J.,Sawada, H.,Wei, M.,Vaisseau, X.,Sasaki, T.,Giuffrida, L.,Hulin, S.,Vauzour, B.,Santos, J.J.,Batani, D.,McLean, H.S.,Patel, P.K.,Li, Y.T.,Yuan, D.W.,Zhang, K.,Zhong, J. Cambridge University Press 2016 Laser and particle beams Vol.34 No.4
<B>Abstract</B><P>A new approach is proposed to analyze Bremsstrahlung X-rays that are emitted from laser-produced plasmas (LPP) and are measured by a stack type spectrometer. This new method is based on a spectral tomographic reconstruction concept with the variational principle for optimization, without referring to the electron energy distribution of a plasma. This approach is applied to the analysis of some experimental data obtained at a few major laser facilities to demonstrate the applicability of the method. Slope temperatures of X-rays from LPP are determined with a two-temperature model, showing different spectral characteristics of X-rays depending on laser properties used in the experiments.</P>
Identification of New Compounds from Catharanthus roseus Hairy Root Cultures
Chung, Ill-Min,Ali, Mohd,Yang, Young-Mok,Peebles, Christie A. M.,Chun, Se-Chul,Lee, Sun-Joo,San, Ka-Yiu,Ahmad, Ateeque Korean Chemical Society 2007 Bulletin of the Korean Chemical Society Vol.28 No.8
Two new compounds lanast-5,8-dien-3β-ol-27-oic acid-3β-D-glucopyranosyl (4'-1'')-10'',11''-dimethoxy anthracene (1), 2-methoxy-6-(n-nonacontan-5'',6''-dionyl)-11-hydroxy-13-methyl-11β-D-rhamnopyranoside anthracene (2) have been isolated from the hairy root cultures of Catharanthus roseus. Their structures have been elucidated with the help of 500 MHz NMR using one- and two-dimensional NMR in combination with IR, EI/MS, FAB/MS and HRFABMS spectroscopy.
A New Chemical Constituent from the Hairy Root Cultures of Catharanthus roseus
정일민,Han-Young Park,Mohd Ali,Ka Yiu San,Christie A. M. Peebles,홍승범,Ateeque Ahmad* 대한화학회 2007 Bulletin of the Korean Chemical Society Vol.28 No.2
One new compound, 3,7,11,19,23,27-hexamethyl-15-hydroxymethylene-n-octacos-5,8,20-triene-10b,18a-diol-10b-D-glucopyranoside (1), along with the three known compounds, 3-epibetulinic acid (2), n-penta-decanyl octa-dec-19-en-oate (3) and b-sitosterol (4) were isolated from the methanolic extract of the cultured Catharanthus roseus hairy roots. The structures of the one new and three known compounds were elucidated using one- and two-dimensional NMR in combination with IR, EI/MS, FAB/MS. To the best of our knowledge, 3,7,11,19,23,27-hexamethyl-15-hydroxymethylene-n-octacos-5,8,20-triene-10b,18a-diol-10b-D-glucopyranoside, 3-epibetulinic acid and n-pentadecanyl octa-dec-19-en-oate were identified for the first time from the hairy roots of C. roseus.
A New Chemical Constituent from the Hairy Root Cultures of Catharanthus roseus
Chung, Ill-Min,Park, Han-Young,Ali, Mohd,San, Ka Yiu,Peebles, Christie A. M.,Hong, Seung-Beom,Ahmad, Ateeque Korean Chemical Society 2007 Bulletin of the Korean Chemical Society Vol.28 No.2
One new compound, 3,7,11,19,23,27-hexamethyl-15-hydroxymethylene-n-octacos-5,8,20-triene-10β,18α- diol-10β-D-glucopyranoside (1), along with the three known compounds, 3-epibetulinic acid (2), n-pentadecanyl octa-dec-19-en-oate (3) and β-sitosterol (4) were isolated from the methanolic extract of the cultured Catharanthus roseus hairy roots. The structures of the one new and three known compounds were elucidated using one- and two-dimensional NMR in combination with IR, EI/MS, FAB/MS. To the best of our knowledge, 3,7,11,19,23,27-hexamethyl-15-hydroxymethylene-n-octacos-5,8,20-triene-10β,18α-diol-10β-D-glucopyranoside, 3-epibetulinic acid and n-pentadecanyl octa-dec-19-en-oate were identified for the first time from the hairy roots of C. roseus.
Identification of New Compounds from Catharanthus roseus Hairy Root Cultures
정일민,Mohd Ali,Young-Mok Yang,Christie A. M. Peebles,천세철,Sun-Joo Lee,Ka-Yiu San*,Ateeque Ahmad* 대한화학회 2007 Bulletin of the Korean Chemical Society Vol.28 No.8
Two new compounds lanast-5,8-dien-3b-ol-27-oic acid-3b-D-glucopyranosyl (4'-1'')-10'',11''-dimethoxy anthracene (1), 2-methoxy-6-(n-nonacontan-5'',6''-dionyl)-11-hydroxy-13-methyl-11b-D-rhamnopyranoside anthracene (2) have been isolated from the hairy root cultures of Catharanthus roseus. Their structures have been elucidated with the help of 500 MHz NMR using one- and two-dimensional NMR in combination with IR, EI/MS, FAB/MS and HRFABMS spectroscopy.