Cargando…

Crystal structures, DFT studies and UV–visible absorption spectra of two anthracenyl chalcone derivatives

The crystal structures of (E)-1-(anthracen-9-yl)-3-(3H-indol-2-yl)prop-2-en-1-one, C(25)H(17)NO, and (E)-1-(anthracen-9-yl)-3-[4-(dimethylamino)naphthalen-1-yl]prop-2-en-1-one, C(29)H(23)NO, are reported. In each case the anthracene ring system and pendant ring system are almost perpendicular to...

Descripción completa

Detalles Bibliográficos
Autores principales:	Zainuri, Dian Alwani, Razak, Ibrahim Abdul, Arshad, Suhana
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	International Union of Crystallography 2018
Materias:	Research Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176452/ https://www.ncbi.nlm.nih.gov/pubmed/30319808 http://dx.doi.org/10.1107/S2056989018013087

Ejemplares similares

Molecular structure, DFT studies and Hirshfeld analysis of anthracenyl chalcone derivatives
por: Zainuri, Dian Alwani, et al.
Publicado: (2018)

Crystal structure, spectroscopic characterization and DFT study of two new linear fused-ring chalcones
por: Zainuri, Dian Alwani, et al.
Publicado: (2018)

Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores
por: Zainuri, Dian Alwani, et al.
Publicado: (2021)

Molecular structure, DFT studies and UV–Vis absorption of two new linear fused ring chalcones: (E)-1-(anthracen-9-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (E)-1-(anthracen-9-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
por: Zainuri, Dian Alwani, et al.
Publicado: (2018)

The effect of the fused-ring substituent on anthracene chalcones: crystal structural and DFT studies of 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one
por: Zainuri, Dian Alwani, et al.
Publicado: (2018)

(E)-1,3-Bis(anthracen-9-yl)prop-2-en-1-one: crystal structure and DFT study
por: Zainuri, Dian Alwani, et al.
Publicado: (2018)

Crystal structure and theoretical studies of two π-conjugated fused-ring chalcones: (E)-1-(anthracen-9-yl)-3-(9-ethyl-9H-carbazol-3-yl)prop-2-en-1-one and (E)-1-(anthracen-9-yl)-3-[4-(9H-carbazol-9-yl)phenyl]prop-2-en-1-one
por: Zainuri, Dian Alwani, et al.
Publicado: (2018)

Comparative analyses of new donor-π-acceptor ferrocenyl-chalcones containing fluoro and methoxy-fluoro acceptor units as synthesized dyes for organic solar cell material
por: Anizaim, Ainizatul Husna, et al.
Publicado: (2020)

Structural, Hirshfeld and DFT studies of conjugated D–π–A carbazole chalcone crystal
por: Zaini, Muhamad Fikri, et al.
Publicado: (2020)

Crystal structure and optical properties of fused-ring chalcone (E)-3-(anthracen-9-yl)-1-(4-nitrophenyl)prop-2-en-1-one
por: Zaini, Muhamad Fikri, et al.
Publicado: (2019)

(E)-1-(Benzo[d][1,3]dioxol-5-yl)-3-([2,2′-bithiophen]-5-yl)prop-2-en-1-one: crystal structure, UV–Vis analysis and theoretical studies of a new π-conjugated chalcone
por: Anizaim, Ainizatul Husna, et al.
Publicado: (2019)

Crystal structure, Hirshfeld surface analysis and DFT studies of (E)-1-(4-bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
por: Zaini, Muhamad Fikri, et al.
Publicado: (2019)

DFT Modelling of Molecular Structure, Vibrational and UV-Vis Absorption Spectra of T-2 Toxin and 3-Deacetylcalonectrin
por: Pankin, Dmitrii, et al.
Publicado: (2022)

Calculation of the visible-UV absorption spectra of hydrogen sulfide, bisulfide, polysulfides, and As and Sb sulfides, in aqueous solution
por: Tossell, JA
Publicado: (2003)

Mesoionic tetrazolium-5-aminides: Synthesis, molecular and crystal structures, UV–vis spectra, and DFT calculations
por: Budevich, Vladislav A, et al.
Publicado: (2021)

Corneal absorption spectra in the deep UV range
por: Inniger, Dominik, et al.
Publicado: (2022)

DFT study of the effect of substituents on the absorption and emission spectra of Indigo
por: Cervantes-Navarro, Francisco, et al.
Publicado: (2012)

Ultraviolet and visible absorption spectra: index for 1930-1954
por: Hershenson, Herbert M
Publicado: (1956)

Metallocene-Naphthalimide Derivatives: The Effect of Geometry, DFT Methodology, and Transition Metals on Absorption Spectra
por: Tzeliou, Christina Eleftheria, et al.
Publicado: (2023)

Dataset of emission and excitation spectra, UV–vis absorption spectra, and XPS spectra of graphitic C(3)N(4)
por: He, Liangrui, et al.
Publicado: (2018)

Comparative dataset of experimental and computational attributes of UV/vis absorption spectra
por: Beard, Edward J., et al.
Publicado: (2019)

Unraveling the Effects of Co-Crystallization on the UV/Vis Absorption Spectra of an N-Salicylideneaniline Derivative. A Computational RI-CC2 Investigation
por: Quertinmont, Jean, et al.
Publicado: (2020)

Synthesis, X-Ray Structure, Hirshfeld Surface Analysis, DFT Calculations, and Molecular Docking Studies of Nickel(II) Complex with Thiosemicarbazone Derivative
por: Osman, Uwaisulqarni M., et al.
Publicado: (2021)

Crystal structure and optical spectroscopic analyses of (E)-3-(1H-indol-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one hemihydrate
por: Zaini, Muhamad Fikri, et al.
Publicado: (2018)

Optical Absorption Spectra and Electronic Properties of Symmetric and Asymmetric Squaraine Dyes for Use in DSSC Solar Cells: DFT and TD-DFT Studies
por: El-Shishtawy, Reda M., et al.
Publicado: (2016)

Synthesis and Photophysical, Electrochemical, and DFT Studies of Piperidyl and Pyrrolidinyl Chalcones
por: Baig, Humera, et al.
Publicado: (2023)

Exploring the Absorption Spectra of an Ultra-Wideband Metamaterial Absorber in the Visible and Near-Infrared Regions
por: Tharwat, Marwa M., et al.
Publicado: (2022)

Nonempirical Simulations of Inhomogeneous Broadening of Electronic Transitions in Solution: Predicting Band Shapes in One- and Two-Photon Absorption Spectra of Chalcones
por: Bednarska, Joanna, et al.
Publicado: (2017)

Geometry and UV-Vis Spectra of Au(3+) Complexes with Hydrazones Derived from Pyridoxal 5′-Phosphate: A DFT Study
por: Pimenov, Oleg A., et al.
Publicado: (2023)

DFT Computed Dielectric Response and THz Spectra of Organic Co-Crystals and Their Constituent Components
por: Bennett, Joseph W., et al.
Publicado: (2019)

Methodological Survey of Simplified TD-DFT Methods for Fast and Accurate Interpretation of UV–Vis–NIR Spectra of Phthalocyanines
por: Martynov, Alexander G., et al.
Publicado: (2019)

A DFT and Matrix–Isolation IR/UV-Visible Study of High-Coordinated Lanthanide-CO Complexes
por: Kovács, Attila, et al.
Publicado: (2023)

UV/Visible spectra of a series of natural and synthesised anthraquinones: experimental and quantum chemical approaches
por: Anouar, El Hassane, et al.
Publicado: (2014)

Optical Absorption of Impurities and Defects in Semiconducting Crystals: Electronic Absorption of Deep Centres and Vibrational Spectra
por: Pajot, Bernard, et al.
Publicado: (2013)

(E)-1-(Anthracen-9-yl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis
por: Abdullah, Amzar Ahlami, et al.
Publicado: (2016)

Deconvolution of absorption spectra
por: Blass, William
Publicado: (2012)

Crystal structure, DFT study and Hirshfeld surface analysis of ethyl 6-chloro-2-ethoxyquinoline-4-carboxylate
por: Bouzian, Younos, et al.
Publicado: (2019)

Crystal structure and UV spectra of a 1,2-disubstituted benzimidazolium chloride
por: Khan, Tuhin, et al.
Publicado: (2017)

Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
por: Hassan, Nur Hafiq Hanif, et al.
Publicado: (2016)

2-Amino-5-methylpyridinium 2-hydroxy-5-chlorobenzoate
por: Thanigaimani, Kaliyaperumal, et al.
Publicado: (2012)

Cannot write session to /tmp/vufind_sessions/sess_hn38e4uo3mfusvpdfh4slufe4v