Synthesis, crystal structures, photophysical, electrochemical studies, DFT and TD-DFT calculations and Hirshfeld analysis of new 2,2′:6′,2′′-terpyridine ligands with pendant 4′-(trimethoxyphenyl) groups and their homoleptic ruthenium complexes

2020 ◽  
Vol 44 (27) ◽  
pp. 11471-11489 ◽  
Author(s):  
Golla Ramesh ◽  
Raghavendra Kumar P. ◽  
Manohar Pillegowda ◽  
Ganga Periyasamy ◽  
P. A. Suchetan ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Crystal Structures ◽  
Emission Spectra ◽  
Electrochemical Studies ◽  
Absorption And Emission ◽  
X Ray ◽  
Π Interactions ◽  
Td Dft ◽  
Hirshfeld Analysis ◽  
Terpyridine Ligands

[Ru(L1)2](PF6)2 (1) and [Ru(L2)2](PF6)2 (2): X-ray structures, CH⋯F/O, OH⋯F/N, CH⋯O/π, π⋯π interactions, absorption and emission spectra, DFT/TD-DFT, Hirshfeld analysis.

Crystal structures of N6-modified-aminoacid/peptide nucleobase analogs: hybrid adenine–glycine and adenine–glycylglycine molecules

2018 ◽  
Vol 42 (18) ◽  
pp. 14742-14750 ◽  
Author(s):  
Angel García-Raso ◽  
Angel Terrón ◽  
Antonio Bauzá ◽  
Antonio Frontera ◽  
Jhon J. Molina ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Crystal Structures ◽  
X Ray ◽  
Π Interactions ◽  
X Ray Crystallography

Anion–π interactions in crystal structures of N6-modified-aminoacid and dipeptide adenine analogs are investigated using X-ray crystallography and DFT calculations.

Crystal structures of N6-modified-amino acid related nucleobase analogs (II): hybrid adenine-β-alanine and adenine-GABA molecules

2019 ◽  
Vol 43 (24) ◽  
pp. 9680-9688 ◽  
Author(s):  
Angel García-Raso ◽  
Angel Terrón ◽  
Adela López-Zafra ◽  
Andrés García-Viada ◽  
Agostina Barta ◽  
...  
Keyword(s):  
Amino Acid ◽  
Dft Calculations ◽  
Crystal Structures ◽  
X Ray ◽  
Π Interactions ◽  
X Ray Crystallography

H-Bonding networks and anion–π interactions in the crystal structures of N6-modified-amino acid adenine analogs are investigated using X-ray crystallography and DFT calculations.

On the importance of antiparallel π–π interactions in the solid state of isatin-based hydrazides

2019 ◽  
Vol 43 (21) ◽  
pp. 8122-8131 ◽  
Author(s):  
Muhammad Naeem Ahmed ◽  
Maryam Arif ◽  
Farah Jabeen ◽  
Haroon Ahmed Khan ◽  
Khawaja Ansar Yasin ◽  
...  
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
Crystal Structures ◽  
X Ray ◽  
Π Interactions ◽  
X Ray Crystallography ◽  
Isatin Derivatives

Cooperative H-bonding and antiparallel π–π interactions in crystal structures of isatin derivatives are investigated using X-ray crystallography and DFT calculations.

Crystal structures of N6-modified-amino acid nucleobase analogs(iii): adenine–valeric acid, adenine–hexanoic acid and adenine–gabapentine

2020 ◽  
Vol 44 (28) ◽  
pp. 12236-12246 ◽  
Author(s):  
Angel García-Raso ◽  
Angel Terrón ◽  
Bartomeu Balle ◽  
Adela López-Zafra ◽  
Antonio Frontera ◽  
...  
Keyword(s):  
Amino Acid ◽  
Dft Calculations ◽  
Crystal Structures ◽  
Hexanoic Acid ◽  
Valeric Acid ◽  
X Ray ◽  
Π Interactions ◽  
X Ray Crystallography

H-bonding networks, anion–π and π–π interactions in the crystal structures of N6-modified-amino acid adenine analogs are investigated by means of DFT calculations and X-ray crystallography analysis.

Three green luminescent cadmium complexes containing 8-aminoquinoline ligands: Syntheses, crystal structures, emission spectra and DFT calculations

2008 ◽  
Vol 128 (10) ◽  
pp. 1665-1672 ◽  
Author(s):  
Heng Xu ◽  
Liang-Fang Huang ◽  
Li-Min Guo ◽  
Yuan-Guang Zhang ◽  
Xiao-Ming Ren ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Crystal Structures ◽  
Emission Spectra ◽  
Cadmium Complexes

Experimental and PCM/TD-DFT investigation on the absorption and emission spectra of a light emitting material in various solvents

2011 ◽  
Vol 503 (1-3) ◽  
pp. 75-79 ◽  
Author(s):  
Xiaojun Liu ◽  
Dan Yang ◽  
Haidong Ju ◽  
Feng Teng ◽  
Yanbing Hou ◽  
...  
Keyword(s):  
Emission Spectra ◽  
Light Emitting ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra ◽  
Td Dft

Absorption and emission spectra of 1,8-naphthalimide fluorophores: A PCM-TD-DFT investigation

2010 ◽  
Vol 372 (1-3) ◽  
pp. 61-66 ◽  
Author(s):  
Denis Jacquemin ◽  
Eric A. Perpète ◽  
Giovanni Scalmani ◽  
Ilaria Ciofini ◽  
Cyril Peltier ◽  
...  
Keyword(s):  
Emission Spectra ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra ◽  
Td Dft
Sign in / Sign up

Export Citation Format

Share Document