The emergent intramolecular hydrogen bonding effect on the electronic structures of organic electron acceptors

2017 ◽  
Vol 19 (35) ◽  
pp. 23905-23909 ◽  
Author(s):  
Takashi Takeda ◽  
Yasutaka Suzuki ◽  
Jun Kawamata ◽  
Shin-ichiro Noro ◽  
Takayoshi Nakamura ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Electronic Structures ◽  
Molecular System ◽  
Intramolecular Hydrogen Bonding ◽  
Hydrogen Bonding Interactions ◽  
Bonding Effect ◽  
Organic Electron ◽  
New Strategy ◽  
Intramolecular Hydrogen ◽  
Hydrogen Bonding Effect

A new strategy for controlling the electron-accepting ability of an anthraquinone-based π-molecular system is proposed to take advantage of intramolecular hydrogen bonding interactions.

Intramolecular hydrogen bonding effect on metal ion complexation of homooxacalix[4]arene bearing tetraamides

Tetrahedron ◽  
2003 ◽  
Vol 59 (14) ◽  
pp. 2403-2407 ◽  
Author(s):  
Kwanghyun No ◽  
Jeong Hyeon Lee ◽  
Seung Hwan Yang ◽  
Kwan Ho Noh ◽  
Soon W Lee ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Metal Ion ◽  
Intramolecular Hydrogen Bonding ◽  
Metal Ion Complexation ◽  
Bonding Effect ◽  
Ion Complexation ◽  
Intramolecular Hydrogen ◽  
Hydrogen Bonding Effect

scholarly journals Intramolecular hydrogen bonding in conformationally semi-rigid α-acylmethane derivatives: a theoretical NMR study

2017 ◽  
Vol 15 (36) ◽  
pp. 7572-7579 ◽  
Author(s):  
Antonio J. Mota ◽  
Jürgen Neuhold ◽  
Martina Drescher ◽  
Sébastien Lemouzy ◽  
Leticia González ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Hydrogen Bonding Interactions ◽  
Nmr Study ◽  
Intramolecular Hydrogen

Experimental and computational evidence for unusual intramolecular hydrogen-bonding interactions is presented and discussed.

Synthesis of a series of M(ii) (M = Mn, Fe, Co) chloride complexes with both inter- and intra-ligand hydrogen bonding interactions

2021 ◽  
Vol 50 (35) ◽  
pp. 12088-12092
Author(s):  
Clare A. Leahy ◽  
Michael J. Drummond ◽  
Josh Vura-Weis ◽  
Alison R. Fout
Keyword(s):  
Hydrogen Bonding ◽  
Transition Metal ◽  
Intramolecular Hydrogen Bonding ◽  
Metal Chloride ◽  
Chloride Complexes ◽  
Hydrogen Bonding Interactions ◽  
Transition Metal Chloride ◽  
Hydrogen Bonding Networks ◽  
Intramolecular Hydrogen

Hydrogen bonding networks are vital for metallo-enzymes to function; however, modeling these systems is non-trivial. The development of 1st-row transition metal chloride complexes with intramolecular hydrogen-bonding interactions are detailed herein.

Longipilin acetate

2006 ◽  
Vol 62 (4) ◽  
pp. o1330-o1332 ◽  
Author(s):  
Olga L. Ospina ◽  
Carlos A. Rojas ◽  
Daniel Vega
Keyword(s):  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Membered Ring ◽  
Native Plant ◽  
Hydrogen Bonding Interactions ◽  
Molecular Folding ◽  
Intramolecular Hydrogen

Longipilin acetate, C23H28O9, is a compound isolated from Espeletia killipii, a Colombian native plant. The molecule contains two non-planar rings, a ten-membered ring and a five-membered lactone. Various substituents around the ten-membered ring provide very weak intramolecular hydrogen-bonding interactions that determine the molecular folding.

THE EFFECT OF SUBSTITUTION ON STRUCTURE, INTRAMOLECULAR HYDROGEN BONDING STRENGTH, ELECTRON DENSITY AND RESONANCE IN 3-AMINO 2-IMINOMETHYL ACRYL ALDEHYDE

2012 ◽  
Vol 11 (05) ◽  
pp. 925-939 ◽  
Author(s):  
HEIDAR RAISSI ◽  
MAHDI YOOSEFIAN ◽  
FARIBA MOLLANIA ◽  
FARZANEH FARZAD
Keyword(s):  
Hydrogen Bonding ◽  
Electron Density ◽  
Population Analysis ◽  
Intramolecular Hydrogen Bonding ◽  
Analysis Data ◽  
Covalent Character ◽  
Hydrogen Bonding Interactions ◽  
Hydrogen Bond Strength ◽  
Intramolecular Hydrogen ◽  
Hydrogen Bonding Strength

B3LYP/6-311++G** calculations have been carried out to simulate the influence of substitutions in position R1 and R2 of 3-amino 2-iminomethyl acryl aldehyde on intramolecular hydrogen bond strength. The following substituents are taken into considerations: CN, NO2, Cl, F, CH3, CHO, NH2, C2H5, SH, SCH3, CF3 and CH3CO and their vibrational frequencies are calculated at the same level of theory. Quantum theory of "Atoms in Molecules" and Natural Bond Orbitals method were applied to analyzed H-bond interactions. The electron density (ρ) and Laplacian (∇2ρ) properties, estimated by AIM calculations, indicate that N⋯H bond possesses low ρ and positive ∇2ρ values which are in agreement with electrostatic character of the HBs, whereas N–H bonds have covalent character (∇2ρ < 0). Natural population analysis data, the electron density and Laplacian properties, as well as, ν (N-H) and γ (N-H) have been used to evaluate the hydrogen bonding interactions.

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