Author
S. S. Talwar
Bio: S. S. Talwar is an academic researcher from Indian Institute of Technology Bombay. The author has contributed to research in topics: Crystal structure & Orthorhombic crystal system. The author has an hindex of 1, co-authored 3 publications receiving 4 citations.
Papers
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TL;DR: In this article, the 4-bis(1-naphthyl)-buta-1,3-diyne (C24H14, Mr,'302.38, monoclinic, P2 1/a, a '7.534', b'6.012(1), c'17.969(3)A, β' 101.67 A, Dx'1.257g/cc, F(000)'316, λ.(Mok)α'0.71073 A T '300 K,
Abstract: 1, 4-bis(1-naphthyl)-buta-1,3-diyne, C24H14, Mr , ' 302.38, monoclinic, P2 1/a, a '7.534(1), b ' 6.012(1), c ' 17.969(3)A, β' 101.1(1)˚, V ' 798.67 A, Dx ' 1.257g/cc, F(000) ' 316, λ.(Mok)α ' 0.71073 A T '300 K, final R and wR are 0.0389 and 0.0457 respectively using 1281 reflections taken in least squares calculations.
4 citations
TL;DR: Wegner et al. as discussed by the authors showed that the monomer structure (with D'3.36 cm−1, F(000)'324.25˚) does not satisfy the requirements for topochemical polymerisation.
Abstract: 1,4-bis(3-thianaphthyl)-buta-1,3-diyne, C20S2H10, Mr ' 314.43, m.p ' 438 K, monoclinic, P21/c, a ' 13.276(1), b ' 3.958(1), c ' 14.120(3)A. β ' 92.11(1)A, V ' 741.45 A3, Z ' 2, Dx ' 1.408 gm. cm−3, μ ' 3.36cm−1, F(000) ' 324.0, λ(MoK) ' 0.71073 A, T ' 300K, final R and wR are 0.0303 and 0.0433 respectively using 1022 observations used in structure factor calculation. The monomer structure (with D ' 3.664 A, S 1 ' 3.502 A and the angle τ1 ' 62.25˚) does not satisfy the requirements for topochemical polymerisation (Wegner, 1977).
TL;DR: The final R and wR2 are 0.044 and 0.1266 respectively as mentioned in this paper, and the final WR2 is 0.71069, which is the best possible.
Abstract: 1-(2-thienyl)penta-1,3-diyne-5-ol (TD-OL), C9H6OS, M-r = 162.2 orthorhombic, Pbcn, a = 22.660(2), b = 7.482(1), c = 9.379(1) Angstrom, V = 1590.0(3) Angstrom(3); Z = 8, D-c = 1.355 Mgm(-3), mu = 0.338 mm(-1), F(000) = 672, lambda(MoKalpha) = 0.71069 Angstrom, final R and wR2 are 0.044 and 0.1266 respectively.
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TL;DR: A series of symmetrically substituted diphenylbuta-1,3-diyne (DPB) derivatives possessing electron-donating or electron-accepting groups have been prepared and studied with emphasis on their spectral and photophysical properties.
Abstract: A series of symmetrically substituted diphenylbuta-1,3-diyne (DPB) derivatives possessing electron-donating (N,N-dimethylamino or methoxy) or electron-accepting (nitrile, ester or aldehyde) groups have been prepared and studied with emphasis on their spectral and photophysical properties. The photophysical characteristics of these compounds have been studied in relation to their structures and influence of solvents or temperature. The observed spectral and photophysical properties are explained with the help of potential energy maps in the ground and excited states obtained from density functional theory (DFT, B3LYP, def2TZVP basis set) calculations. The structure-property relationship of all of the compounds is discussed and compared with appropriate diphenylacetylene derivatives.
12 citations
TL;DR: In this article, the synthesis of 1,4-bis(2-naphthyl)-1,3-butadiynes, containing terminal alkoxy chains, was reported, and the mesomorphism of these compounds was characterized by differential scanning calorimetry and polarizing optical microscopy.
Abstract: The synthesis of 1,4-bis(2-naphthyl)-1,3-butadiynes, containing terminal alkoxy chains, is reported. The mesomorphism of these compounds has been characterized by differential scanning calorimetry and polarizing optical microscopy. The introduction of terminal alkoxy chains, significantly lowers the melting temperature of the analogous core without terminal chains. The induction of a smectic phase occurred when two decyloxy chains were attached. The solid state structures and packing arrangements of the butyloxy derivative and the chainless core were determined by single crystal X-ray diffraction, and revealed greater layer interpenetration for the substituted material.
10 citations
TL;DR: In this paper, the molecular structures of 1,8-di(quinol-2-yl) octa-1,7-diyne and 1, 8-di (phenanthren-9-yl), 9-yl, 1, 7-dydne were established by single-crystal X-ray diffraction studies.
Abstract: 1,8-Di(quinol-2-yl)octa-1,7-diyne and 1,8-di(phenanthren-9-yl)octa-1,7-diyne were synthesised by conventional and microwaveassisted methods in good yields. Microwave irradiation enhances the rate of these reactions. Photophysical properties of these derivatives were also evaluated, and it was found that 1,8-di(phenanthren-9-yl)octa-1,7-diyne displays a higher fluorescence quantum yield than 1,8-di(quinol-2-yl)octa-1,7-diyne. The molecular structures of 1,8-di(quinol-2-yl)octa-1,7-diyne and 1,8-di(phenanthren-9-yl)octa-1,7-diyne were established by single-crystal X-ray diffraction studies.
2 citations