Syntheses and Luminescent Behavior of π-Extended [Ru(bpy)3]2+ Derivatives through Triple Hydrogen Bonds as an Organic-Inorganic Hybridized Material

2006 ◽  
Vol 11-12 ◽  
pp. 277-280 ◽  
Author(s):  
Tomohiro Ozawa ◽  
Y. Kishi ◽  
K. Miyamoto ◽  
Y. Wasada-Tsutsui ◽  
Yasuhiro Funahashi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Energy Transfer ◽  
High Performance ◽  
Electron System ◽  
Proton Donor ◽  
Proton Acceptor ◽  
Intense Luminescence ◽  
Luminescent Spectra ◽  
Luminescent Behavior

Two new bipyridine derivative ligands with an extended π electron system and a triple hydrogen bond group, 2,4-diaminopyrimido[5,6-b]dipyrido[2,3-f:2’,3’-h]quinoxaline (DAPQ) and 2,4(1H,3H)-pyrimidinedion[5,6-b]dipyrido[2,3-f:2’3’-h]quinoxaline (PDPQ), were synthesized in order to construct high-performance Ru(II) complexes. The two Ru(II) complexes composed of dapq or pdpq and two 2,2’-bipyridine (BPY) ligands showed characteristic luminescent spectra with a peak maximum at ca. 610 nm. The octahedral Ru(II) complexes with a D-A-D (D: proton donor; A: proton acceptor) type triple hydrogen bond indicated intense luminescence in comparison with the corresponding Ru(II) complex composed of three BPY ligands. When the triple hydrogen bond was formed with a Co(III) complex with the D-A-D type hydrogen bonding group, the luminescence was quenched. This result was explained in terms of an energy transfer from an excited Ru(II) complex to the Co(III) complex.

Interaction of Gold Atom with Clusters of Water: Few Computational Mise-En-Scènes with Hydrogen Bonding Motif

2008 ◽  
Vol 73 (11) ◽  
pp. 1457-1474 ◽  
Author(s):  
Eugene S. Kryachko
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Computational Model ◽  
Photoelectron Spectroscopy ◽  
Water Clusters ◽  
Gold Atom ◽  
Proton Acceptor ◽  
Anion Photoelectron Spectroscopy ◽  
Relationship Of ◽  
First Time

The present work outlines the fair relationship of the computational model with the experiments on anion photoelectron spectroscopy for the gold-water complexes [Au(H2O)1≤n≤2]- that is established between the auride anion Au- and water monomer and dimer thanks to the nonconventional hydrogen bond where Au- casts as the nonconventional proton acceptor. This work also extends the computational model to the larger complexes [Au(H2O)3≤n≤5]- where gold considerably thwarts the shape of water clusters and even particularly breaks their conventional hydrogen bonding patterns. The fascinating phenomenon of the lavish proton acceptor character of Au- to form at least six hydrogen bonds with molecules of water is computationally unveiled in the present work for the first time.

scholarly journals Does the Intramolecular Hydrogen Bond Affect the Spectroscopic Properties of Bicyclic Diazole Heterocycles?

2018 ◽  
Vol 2018 ◽  
pp. 1-15 ◽  
Author(s):  
Paweł Misiak ◽  
Alina T. Dubis ◽  
Andrzej Łapiński
Keyword(s):  
Hydrogen Bond ◽  
Quantum Theory ◽  
Intramolecular Hydrogen Bond ◽  
Natural Bond Orbital ◽  
Spectroscopic Properties ◽  
Proton Donor ◽  
Proton Acceptor ◽  
Nbo Method ◽  
Acceptor Group ◽  
Intramolecular Hydrogen

The formation of an intramolecular hydrogen bond in pyrrolo[1,2-a]pyrazin-1(2H)-one bicyclic diazoles was analyzed, and the influence of N-substitution on HB formation is discussed in this study. B3LYP/aug-cc-pVDZ calculations were performed for the diazole, and the quantum theory of atoms in molecules (QTAIM) approach as well as the natural bond orbital (NBO) method was applied to analyze the strength of this interaction. It was found that the intramolecular hydrogen bond that closes an extra ring between the C=O proton acceptor group and the CH proton donor, that is, C=O⋯H–C, influences the spectroscopic properties of pyrrolopyrazine bicyclic diazoles, particularly the carbonyl frequencies. The influence of N-substitution on the aromaticity of heterocyclic rings is also discussed in this report.

Hydrogen bond-modulated molecular packing and its applications in high-performance non-doped organic electroluminescence

2020 ◽  
Vol 7 (10) ◽  
pp. 2734-2740
Author(s):  
Yizhong Shi ◽  
Kai Wang ◽  
Youichi Tsuchiya ◽  
Wei Liu ◽  
Takeshi Komino ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
High Performance ◽  
Molecular Packing ◽  
Intermolecular Hydrogen Bonding ◽  
Supramolecular Framework ◽  
Organic Electroluminescence

Suitable intermolecular hydrogen bonding enables the formation of a fixed 3D supramolecular framework and suppresses the exciton nonradiative decays and quenching.

Intramolecular hydrogen bonds and the orientation of amino groupsin o-phenylenediamines

1967 ◽  
Vol 45 (19) ◽  
pp. 2135-2141 ◽  
Author(s):  
P. J. Krueger
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Infrared Absorption ◽  
Substituent Effect ◽  
Proton Donor ◽  
Proton Acceptor ◽  
Amino Groups ◽  
Intramolecular Hydrogen Bonds ◽  
Infrared Absorption Spectra ◽  
Intramolecular Hydrogen

The infrared absorption spectra of partially deuterated o-phenylenediamine and 4,5-di-methyl-, 4-methyl-, and 4-chloro-o-phenylenediamine in dilute CCl4 solution show double intramolecular [Formula: see text] hydrogen bonds in which the two NHD groups are equivalent and each group acts as both a proton donor and a proton acceptor. The ring substituent effect on this interaction in these compounds is small. In 4-methoxy-o-phenylenediamine, the amino groups are not equivalent, but double intramolecular hydrogen bonds are still present. In 4-nitro-o-phenylenediamine, only one intramolecular [Formula: see text] hydrogen bond appears to exist. The effect of N-substitution on some of these observations is discussed.

Hydrogen Bonding in Mimics of Watson–Crick Base Pairs Involving CH Proton Donor and F Proton Acceptor Groups: A Theoretical Study

ChemPhysChem ◽  
2004 ◽  
Vol 5 (4) ◽  
pp. 481-487 ◽  
Author(s):  
Célia Fonseca Guerra ◽  
F. Matthias Bickelhaupt ◽  
Evert Jan Baerends
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Study ◽  
Proton Donor ◽  
Proton Acceptor ◽  
Base Pairs

Hydrogen bonding. Part 9. Solute proton donor and proton acceptor scales for use in drug design

1989 ◽  
pp. 1355 ◽  
Author(s):  
Michael H. Abraham ◽  
Philip P. Duce ◽  
David V. Prior ◽  
Derek G. Barratt ◽  
Jeffrey J. Morris ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Drug Design ◽  
Proton Donor ◽  
Proton Acceptor

Amide hydrogen bonding in organic medium

1980 ◽  
Vol 58 (13) ◽  
pp. 1372-1375 ◽  
Author(s):  
J. N. Spencer ◽  
Robert C. Garrett ◽  
Fred J. Mayer ◽  
Johanna E. Merkle ◽  
Carla R. Powell ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Infrared Spectroscopy ◽  
Proton Donor ◽  
Organic Medium ◽  
Association Constants ◽  
The Self ◽  
Amide Hydrogen ◽  
Theoretical Predictions ◽  
Self Association

Thermodynamic parameters for the self-association of N-methylformamide and N-methylacetamide in CCl4 solvent have been determined by infrared spectroscopy. The pure base calorimetric method was used to determine the enthalpy of hydrogen bond complex formation of N-methylformamide and N-methylacetamide with N,N-dimethylformamide, N,N-dimethylacetamide, ethyl acetate, and dioxane. Comparison of the calorimetric and spectroscopic results show that the dimers of N-methylformamide and N-methylacetamide are linear with hydrogen bond enthalpies of −2.9 and −3.9 kcal mol−1 respectively. The carbonyl group of N-methylacetamide was found to be a better proton accepter than the carbonyl of N-methylformamide in agreement with theoretical predictions. N-methylacetamide was found to be a better proton donor than N-methylformamide in disagreement with theoretical predictions. The dimer self-association constants appear to be larger than previously reported.

A novel supramolecular polymer fabricated via stronger hydrogen-bonding interactions between substituted amide groups: design, synthesis, properties and mechanism

RSC Advances ◽  
2015 ◽  
Vol 5 (102) ◽  
pp. 84104-84112 ◽  
Author(s):  
Ze-Hui Dai ◽  
Lu Qiang ◽  
Li-ming Tang ◽  
Bao-Hua Guo
Keyword(s):  
Hydrogen Bonding ◽  
Proton Donor ◽  
Proton Acceptor ◽  
Supramolecular Polymer ◽  
Cooling Process ◽  
Electron Densities ◽  
Design Synthesis ◽  
Hydrogen Bonding Interactions ◽  
Synthesis Properties

By modulating the electron densities of substitutes of both a proton donor (N–H) and proton acceptor (CO), the molecules of DPCHP-DODE assemble into a supramolecular polymer during the cooling process of the melt DPCHP-DODE.

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