Synthesis, structure, tautomerism, intramolecular hydrogen bond, and vibrational assignment of 3-nitroso-2,4-pentanedione: A theoretical and experimental approach (original) (raw)

Structure and vibrational assignment of 3-nitro-2,4-pentanedione: A density functional theoretical study

Sayyed Faramarz Tayyari

Journal of Molecular Structure, 2008

View PDFchevron_right

Intramolecular hydrogen bonding in 2-nitromalonaldehyde: Infrared spectrum and quantum chemical calculations

Sayyed Faramarz Tayyari

Journal of Molecular Structure, 2006

View PDFchevron_right

The hydrogen bond acidity and other descriptors for oximes

Michael Abraham

New Journal of Chemistry, 2009

View PDFchevron_right

Correlation Between Parameters Related to Intramolecular Hydrogen Bond Strength and Hammett Constant in Para Substituted Benzoylacetone (A Theoretical and Experimental Study)

vahidreza darugar

Oriental Journal of Chemistry, 2017

View PDFchevron_right

Density Functional Theory and Atoms-in-Molecules Investigation of Intramolecular Hydrogen Bonding in Derivatives of Malonaldehyde and Implications for Resonance-Assisted Hydrogen Bonding

Jeffrey Woodford

Journal of Physical Chemistry A, 2007

View PDFchevron_right

The Influence of Cation-π Interactions on the Strength and Nature of Intramolecular O...H Hydrogen Bond in Orthohydroxy Benzaldehyde Compound

Fatemeh Ravari

Physical Chemistry Research, 2017

View PDFchevron_right

Bond energy/bond order relationships for N-O linkages and a quantitative measure of ionicity: the role of nitro groups in hydrogen-bonding

Maria Cristiano

Arkivoc, 2009

View PDFchevron_right

Molecular structure and vibrational assignment of dimethyl oxaloacetate

Sayyed Faramarz Tayyari

Journal of Molecular Structure, 2004

View PDFchevron_right

Hydrogen bond strength and vibrational assignment of the enol form of 3-(methylthio) pentane-2, 4-dione

Farnaz Lorestani

Journal of Molecular Structure-theochem, 2008

View PDFchevron_right

The C—H⋯O hydrogen bond. An ab initio study of nitrosomethane and its hydrogen bonded dimer

Hans Jorgen Talberg

Journal of Molecular Structure, 1975

View PDFchevron_right

Hydrogen bond strength and vibrational assignment of the enol form of 3-(phenylthio)pentane-2,4-dione

Sayyed Faramarz Tayyari

Journal of Molecular Structure-theochem, 2008

View PDFchevron_right

Intramolecular Hydrogen-Bonding Interactions in 2-Nitrosophenol and Nitrosonaphthols: Ab Initio, Density Functional, and Nuclear Magnetic Resonance Theoretical Study

Venelin Enchev

The Journal of Physical Chemistry A, 2007

View PDFchevron_right

DFT study of hydrogen-bonded dimers and tetramer of glyoxilic acid oxime

Natasha Trendafilova

Chemical Physics, 2003

View PDFchevron_right

Vibrational, Structural and Hydrogen bonding analysis of N-[(E)-4-Hydroxybenzylidene]-2-(naphthalen-2-yloxy) acetohydrazide: combined density functional and atoms-in-molecule based theoretical studies

Ambrish K. Srivastava

View PDFchevron_right

Intramolecular O-H��N hydrogen bonds in 2-hydroxybenzaldimine compounds: Spectroscopic and quantum chemical investigations

Alexandra Simperler

Monatshefte f�r Chemie Chemical Monthly, 1997

View PDFchevron_right

Theoretical Study Intramolecular Hydrogen Bond in Acetylacetone 3- substituted Derivatives: NMR, NBO analysis and Thermo-chemical Investigation

seyed abdollah seyed katouli

Oriental Journal Of Chemistry, 2013

View PDFchevron_right

Bond energy/eond order relationships for NO linkages and a quantitative measure of ionicity: the rôle of nitro groups in hydrogen bonding

Maria Cristiano

View PDFchevron_right

Nature of the hydrogen bond: crystallographic versus theoretical description of the O-H...N(sp 2) hydrogen bond

Otilia Mó

Acta Crystallographica Section B Structural Science, 1992

View PDFchevron_right

Structure and vibrational assignment of 3,4-diacetyl-2,5-hexanedione. A density functional theoretical study

Mansoureh Zahedi-Tabrizi

Journal of Molecular Structure, 2007

View PDFchevron_right

Density functional calculations of oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors to study hydrogen bonding properties of peptide group (O C–NH) in crystalline acetamide

Mohammad Mirzaei

Journal of Molecular Graphics & Modelling, 2008

View PDFchevron_right

A combined X-ray crystallography and theoretical study of N—H...OX (X is =P and —C) hydrogen bonds in two new structures with a (C—O)2(N)P(=Y) (Y is O and S) skeleton

Hafiz Abdelnasir

Acta Crystallographica Section C Structural Chemistry, 2018

View PDFchevron_right

Matrix-isolation FT-IR and theoretical investigation of the competitive intramolecular hydrogen bonding in 5-methyl-3-nitro-2-hydroxyacetophenone

Aleksander Filarowski

Journal of Molecular Structure, 2008

View PDFchevron_right

Conformational analysis, spectroscopic (FTIR, NMR and UV-Vis.), molecular docking and quantum chemical simulation studies of 1-phenylethanone-O-pyropyl oxime ether

yunus kaya

Journal of Innovative Science and Engineering (JISE), 2018

View PDFchevron_right

Experimental and Quantum Chemical Studies of Nicotinamide-Oxalic Acid Salt: Hydrogen Bonding, AIM and NBO Analysis

Priya Verma

Frontiers in Chemistry, 2022

View PDFchevron_right

Conformational analysis, tautomerization, IR, Raman, and NMR studies of benzyl acetoacetate

Sayyed Faramarz Tayyari

Journal of Molecular Structure, 2011

View PDFchevron_right

Focal Point Evaluation of Energies for Tautomers and Isomers for 3-hydroxy-2-butenamide: Evaluation of Competing Internal Hydrogen Bonds of Types -OH…O=, -OH…N, -NH…O=, and CH…X (X=O and N)

Zikri Altun

Molecules

View PDFchevron_right

ChemInform Abstract: Study of Hydrogen Bonding in Nitro Enamides

Alina Dubis

ChemInform, 2010

View PDFchevron_right

Theoretical description of hydrogen bonding in oxalic acid dimer and trimer based on the combined extended-transition-state energy decomposition analysis and natural orbitals for chemical valence (ETS-NOCV)

rafal kurczab

Journal of Molecular Modeling, 2010

View PDFchevron_right

Study of Hydrogen Bonding in Nitro Enamides

Agnieszka Wilczewska

Journal of Chemical Research, 1998

View PDFchevron_right