scholarly journals 1-(4-Chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1647-o1649 ◽  
Author(s):  
William T. A. Harrison ◽  
H. S. Yathirajan ◽  
B. K. Sarojini ◽  
B. Narayana ◽  
J. Indira
Keyword(s):  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Title Compound ◽  
Second Harmonic ◽  
Geometrical Parameters ◽  
Space Group ◽  
Compound C ◽  
Centrosymmetric Space Group

The geometrical parameters for the title compound, C16H13ClO2, are normal. Packing in a non-centrosymmetric space group, which is consistent with the non-zero second harmonic generation response, may be influenced by a C—H...O interaction.

Tb(HSO4)(SO4) – a green emitting hydrogensulfate sulfate with second harmonic generation response

2019 ◽  
Vol 48 (43) ◽  
pp. 16377-16383 ◽  
Author(s):  
Philip Netzsch ◽  
Harijs Bariss ◽  
Lkhamsuren Bayarjargal ◽  
Henning A. Höppe
Keyword(s):  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Second Harmonic ◽  
Optical Material ◽  
Space Group ◽  
Centrosymmetric Space Group ◽  
Non Linear ◽  
Linear Optical

Green emitting Tb(HSO4)(SO4) crystallises in the non-centrosymmetric space group P21 and represents a new sulfate non-linear optical material with a SHG response comparable to KH2PO4 (KDP).

N-(4-Nitrophenyl)-N′-phenylsuccinamide

2007 ◽  
Vol 63 (11) ◽  
pp. o4367-o4367
Author(s):  
Ray J. Butcher ◽  
Jerry P. Jasinski ◽  
H. J. Ravindra ◽  
S. M. Dharmaprakash
Keyword(s):  
Dihedral Angle ◽  
Harmonic Generation ◽  
Title Compound ◽  
Phenyl Ring ◽  
Nonlinear Optical ◽  
Crystal Packing ◽  
Second Harmonic ◽  
Compound C ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C16H15N3O4, the dihedral angle between the two benzene ring is 16.66 (6)°. The molecule crystallizes in a centrosymmetric space group and hence does not exhibit nonlinear optical second harmonic generation properties. The angle between the mean plane of the 4-nitrophenyl group and the adjacent NCO group is 26.2 (8)°, while the angle between the mean plane of the phenyl ring and its adjacent NCO group is 40.8 (5)°. The dihedral angle between the two NCO groups is 5.2 (3)°. The crystal packing is stabilized by intramolecular C—H...O and intermolecular N—H...O interactions, which link the molecules into chains along the b axis in the bc plane, with the phenyl rings arranged oblique to this plane.

Crystal structure studies of Group V chalcogenide compounds. I. The structure of tricyclohexylphosphine sulphide

1977 ◽  
Vol 55 (17) ◽  
pp. 3081-3085 ◽  
Author(s):  
K. Ann Kerr ◽  
P. M. Boorman ◽  
B. S. Misener ◽  
J. G. H. van Roode
Keyword(s):  
Crystal Structure ◽  
Second Harmonic Generation ◽  
Rigid Body ◽  
Bond Length ◽  
Harmonic Generation ◽  
Second Harmonic ◽  
Direct Methods ◽  
Group V ◽  
Full Matrix ◽  
Space Group

Crystals of tricyclohexylphosphine sulphide, C18H33PS, are orthorhombic, a = 10.906(2), b = 15.836(2), c = 10.362(2) Å, Z = 4, space group Pn21a. The structure was solved by direct methods and refined by full-matrix least-squares procedures to a final Rω of 0.058 for all 1209 reflexions with sin θ/λ ≤ 0.5377.Although second harmonic generation unambiguously established the correct space group as Pn21a, parameters reported here refer to the centrosymmetric space group Pnma. The geometry at phosphorus is approximately tetrahedral with an average P—C distance of 1.838(2) Å. Angles at phosphorus range from 105.4° to 113.2°. The P=S bond length of 1.966(2) Å is one of the longest bonds of this type so far reported. Rigid body analysis of thermal parameters suggests that the 'true' bond lengths are even longer.

scholarly journals 2,2-Difluoro-3-(4-fluorophenyl)-2H-benzo[e][1,3,2]oxazaborinin-3-ium-2-uide

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
Błażej Dziuk ◽  
Borys Ośmiałowski ◽  
Anna Zakrzewska ◽  
Krzysztof Ejsmont ◽  
Bartosz Zarychta
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Space Group ◽  
Compound C ◽  
Centrosymmetric Space Group ◽  
Intermolecular Contacts

There is one independent molecule in the asymmetric unit of the title compound, C13H9BF3NO, which crystallizes in the non-centrosymmetric space groupCc. In the molecular structure, the BF2-carrying ring is distorted from planarity and its mean plane makes a dihedral angle of 42.3 (1)° with the 4-fluorophenyl ring. F atoms are involved in all of the short intermolecular contacts of the crystal structure, which link molecules to form chains along [001] and [010].

scholarly journals Polymorphism and pseudosymmetry of 10,10′-oxybis(9-thia-10-hydro-10-boraanthracene)

2019 ◽  
Vol 75 (5) ◽  
pp. 690-694
Author(s):  
Julian Radtke ◽  
Hans-Wolfram Lerner ◽  
Michael Bolte
Keyword(s):  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound I ◽  
Unit Cell Parameters ◽  
Space Group ◽  
Cell Parameters ◽  
Compound C ◽  
Centrosymmetric Space Group ◽  
Compound Ii

We have encountered two polymorphs of the title compound, C24H16B2OS2, both of which display almost the same unit-cell parameters. Compound (I) crystallizes in the non-centrosymmetric space group P21 with four molecules in the asymmetric unit. These molecules are related by pseudosymmetry. As a result, the space group looks like P21/c, but the structure cannot be refined successfully in that space group. Compound (II) on the other hand crystallizes in the centrosymmetric space group P21/c with only two molecules in the asymmetric unit. The crystals studied for (I) and (II) were both non-merohedral twins.

Two alkali calcium borates exhibiting second harmonic generation and deep-UV cutoff edges

2019 ◽  
Vol 43 (24) ◽  
pp. 9354-9363
Author(s):  
Peng Ren ◽  
Yun Yang ◽  
Hao Li ◽  
Zhihua Yang ◽  
Shilie Pan
Keyword(s):  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Second Harmonic ◽  
Polar Space ◽  
Structure Property ◽  
Space Group ◽  
Structure Property Relationships ◽  
Deep Uv

KCa4B3O9 and K0.59Rb0.41Ca4B3O9 crystallize in the polar space group with moderate SHG responses. Calculations were performed to elucidate the structure–property relationships.

Synthesis, Crystal Structures, and Nonlinear Optic and Thermal Properties of Two Diiodocarbazole Derivatives

2017 ◽  
Vol 41 (2) ◽  
pp. 79-81 ◽  
Author(s):  
Gui-Mei Tang ◽  
Rui-Hai Chi ◽  
Wen-Zhu Wan ◽  
Yong-Tao Wang ◽  
Yue-Zhi Cui ◽  
...  
Keyword(s):  
Thermal Properties ◽  
Thermogravimetric Analysis ◽  
Second Harmonic Generation ◽  
Crystal Structures ◽  
Nonlinear Optic ◽  
Harmonic Generation ◽  
Second Harmonic ◽  
Decomposition Temperature ◽  
Thermal Stabilities ◽  
Space Group

Two 3,6-diiodocarbazole derivatives were prepared from the iodination of the corresponding phenylcarbazole. 3,6-Diiodo-9-phenylcarbazole crystallises in the chiral space group P21 and shows good second-harmonic generation effects. Thermogravimetric analysis of the two compounds shows high thermal stabilities, in which the decomposition temperature for 1 and 2 are 273 and 308 °C, respectively.

scholarly journals 2-Bromo-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1659-o1661 ◽  
Author(s):  
Ray J. Butcher ◽  
H. S. Yathirajan ◽  
H. G. Anilkumar ◽  
B. K. Sarojini ◽  
B. Narayana
Keyword(s):  
Optical Activity ◽  
Title Compound ◽  
Nonlinear Optical ◽  
Space Group ◽  
Compound C ◽  
Centrosymmetric Space Group

The title compound, C17H15BrOS, crystallizes in a non-centrosymmetric space group and shows significant nonlinear optical activity.

scholarly journals 3-(3,4-Dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1633-o1635 ◽  
Author(s):  
Ray J. Butcher ◽  
H. S. Yathirajan ◽  
H. G. Anilkumar ◽  
B. K. Sarojini ◽  
B. Narayana
Keyword(s):  
Optical Activity ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Space Group ◽  
Compound C ◽  
Centrosymmetric Space Group ◽  
Non Linear ◽  
Linear Optical

The title compound, C17H15FO3, crystallizes in a centrosymmetric space group and thus does not show any non-linear optical activity. There are two molecules in the asymmetric unit.

Characterization of the room-temperature phase of Tl2MoO4: crystal structure, symmetry mode analysis and second-harmonic generation measurements

2001 ◽  
Vol 57 (2) ◽  
pp. 142-150 ◽  
Author(s):  
Karen Friese ◽  
Mois I. Aroyo ◽  
Cesar L. Folcia ◽  
Gotzon Madariaga ◽  
Tomasz Breczewski
Keyword(s):  
Crystal Structure ◽  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Monoclinic Phase ◽  
Second Harmonic ◽  
Mode Analysis ◽  
Temperature Phase ◽  
High Symmetry ◽  
Space Group ◽  
Symmetry Mode

The crystal structure of the glaserite-related compound dithallium(I)–molybdate(VI), which at 293 K crystallizes monoclinic, space group C121 with lattice parameters a = 10.565 (3), b = 6.418 (1), c = 8.039 (2) Å, β = 91.05 (4)°, has been determined. The structure was refined as an inversion twin to a final R(F all) value of 0.0611 for 1006 unique reflections [R(F obs) = 0.0285 for 644 observed reflections]. Second-harmonic generation measurements led to a value of d eff = 5.5 ± 0.5 pm V−1 as an estimation of the second-harmonic conversion efficiency at phase matching. Symmetry mode analysis shows that, in general, primary modes have the highest amplitudes, yet surprisingly some of the secondary modes assume amplitudes of comparable magnitude. A comparison of the phase at 293 K with that at 350 K (space group P\overline{3}m1) shows that the main change can be described as a rotation of the molybdate tetrahedra around the trigonal a(b) axis. The molybdate tetrahedra as well as the octahedra around one of the symmetry-independent Tl atoms are more strongly distorted in the monoclinic phase. The coordination number for the other two Tl atoms is decreased from 12 and 10 in the high-symmetry phase to 10 and 9 in the monoclinic phase. Furthermore, the number of common edges between the Tl and Mo coordination polyhedra is reduced and the common face which is observed between them in the high-temperature phase is changed to a common edge in the low-temperature phase. The contribution of the primary symmetry modes leads exactly to this change in the coordination spheres of the atoms.

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