ReviewMolecules (Basel, Switzerland)2017
Intramolecular Hydrogen Bonding Involving Organic Fluorine: NMR Investigations Corroborated by DFT-Based Theoretical Calculations.
Review in Molecules (Basel, Switzerland), 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed, 70 citations in OpenAlex.
- Sustainable Self-Healing of Perovskite Solar Cells Using Dendrimers as Volatile Reservoirs.Advanced materials (Deerfield Beach, Fla.) · 2026Article
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- Monofluoromethylation ofInternational journal of molecular sciences · 2023Review
- Crystalline Nanoparticles of Water-Soluble Covalent Basket Cages (CBCs) for Encapsulation of Anticancer Drugs.Angewandte Chemie (International ed. in English) · 2023Article
- Stereochemical Analysis of Trifluoroacetamide Derivatives Based on Through-The Journal of organic chemistry · 2023Article
- i-Motif folding intermediates with zero-nucleotide loops are trapped by 2'-fluoroarabinocytidine via F···H and O···H hydrogen bonds.Communications chemistry · 2023Article
- Intramolecular N-H⋅⋅⋅F Hydrogen Bonding Interaction in a Series of 4-Anilino-5-Fluoroquinazolines: Experimental and Theoretical Characterization of Electronic and Conformational Effects.Chemistry (Weinheim an der Bergstrasse, Germany) · 2022Article
- 2-Trifluoromethyl-6-mercurianiline Nucleotide, a SensitiveThe Journal of organic chemistry · 2022Article
- Consequences of Amide Connectivity in the Supramolecular Polymerization of Porphyrins: Spectroscopic Observations Rationalized by Theoretical Modelling.Chemistry (Weinheim an der Bergstrasse, Germany) · 2021Article
- Competing HB acceptors: an extensive NMR investigations corroborated by single crystal XRD and DFT calculations.RSC advances · 2021Article
- Role of hydrogen bonding interactions within of the conformational preferences of calix[n = 4,6,8]arene: DFT and QTAIM analysis.Journal of molecular modeling · 2019Article
- Quantum chemical determination of molecular geometries and spectral investigation of 4-ethoxy-2, 3-difluoro benzamide.Heliyon · 2019Article
- Retention of strong intramolecular hydrogen bonds in high polarity solvents in binaphthalene-benzamide derivatives: extensive NMR studies.RSC advances · 2019Article
- Correction: Mishra, S.K. and Suryaprakash, N. Intramolecular Hydrogen Bonding Involving Organic Fluorine: NMR Investigations Corroborated by DFT-Based Theoretical Calculations:Molecules (Basel, Switzerland) · 2019Article
- Article
- Intramolecular hydrogen bond directed stable conformations of benzoyl phenyl oxalamides: unambiguous evidence from extensive NMR studies and DFT-based computations.RSC advances · 2018Article
- Special Issue: Intramolecular Hydrogen Bonding 2017.Molecules (Basel, Switzerland) · 2017Article
Corrections and comments
- Erratum issued
Authors and funding
2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The combined utility of many one and two dimensional NMR methodologies and DFT-based theoretical calculations have been exploited to detect the intramolecular hydrogen bond (HB) in number of different organic fluorine-containing derivatives of molecules, viz. benzanilides, hydrazides, imides, benzamides, and diphenyloxamides. The existence of two and three centered hydrogen bonds has been convincingly established in the investigated molecules. The NMR spectral parameters, viz., coupling mediated through hydrogen bond, one-bond NH scalar couplings, physical parameter dependent variation of chemical shifts of NH protons have paved the way for understanding the presence of hydrogen bond involving organic fluorine in all the investigated molecules. The experimental NMR findings are further corroborated by DFT-based theoretical calculations including NCI, QTAIM, MD simulations and NBO analysis. The monitoring of H/D exchange with NMR spectroscopy established the effect of intramolecular HB and the influence of electronegativity of various substituents on the chemical kinetics in the number of organic building blocks. The utility of DQ-SQ technique in determining the information about HB in various fluorine substituted molecules has been convincingly established.
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