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List of works by Claudio F Tormena

(1) H NMR Spectra. Part 28: Proton chemical shifts and couplings in three-membered rings. A ring current model for cyclopropane and a novel dihedral angle dependence for (3) J(HH) couplings involving the epoxy proton

scientific article

(1)H chemical shift differences of Prelog-Djerassi lactone derivatives: DFT and NMR conformational studies

scientific article published on 01 February 2015

1 J CH Coupling in Benzaldehyde Derivatives: Ortho Substitution Effect

scientific article published on 17 January 2019

1,5-Stereoinduction in boron-mediated aldol reactions of β,δ-bisalkoxy methylketones containing cyclic protecting groups

scientific article published on 06 April 2012

13C NMR, infrared, solvation and theoretical investigation of the conformational isomerism in 1-haloacetones (X = Cl, Br and I).

scientific article published in July 2005

13C NMR: nJCH and 1JCC scalar spin–spin coupling constants (SSCCs) for some 3-monosubstituted 2-methylpropenes

scholarly article by Ivânia T.A. Schuquel et al published June 2014 in Journal of Molecular Structure

19 F NMR matrix-assisted DOSY: a versatile tool for differentiating fluorinated species in mixtures.

scientific article published on 28 September 2016

19F DOSY NMR analysis for spin systems with nJFF couplings

scientific article published on 27 January 2014

19F chemical shifts, coupling constants and conformational preferences in monosubstituted perfluoroparacyclophanes

scientific article published on 18 January 2011

1hJFH coupling in 2-fluorophenol revisited: Is intramolecular hydrogen bond responsible for this long-range coupling?

scientific article published on 17 November 2011

A 1H NMR and theoretical investigation of the conformations of some monosubstituted cyclobutanes

scientific article published on 29 November 2010

A critical evaluation of the s-cis–trans isomerism of 2-acetylpyrrole and its N-methyl derivative through infrared and NMR spectroscopies and theoretical calculations

scientific article published on 25 July 2013

A theoretical and experimental1H NMR spectroscopy study of the stereoelectronic interactions that rule the conformational energies of alanine and valine methyl ester

A theoretical investigation of the dictating forces in small amino acid conformational preferences: The case of glycine, sarcosine and N,N-dimethylglycine

Achieving regio- and stereo-control in the fluorination of aziridines under acidic conditions.

scientific article published on 26 October 2016

Alkyl Group Effect on the Conformational Isomerism oftrans-2-Bromoalkoxycyclohexanes Analyzed by NMR Spectroscopy and Theoretical Calculations

article

Analysis of canonical molecular orbitals to identify fermi contact coupling pathways. 1. Through-space transmission by overlap of (31)P lone pairs

scientific article published in January 2010

Analysis of the Electronic Origin of the1JCHSpin−Spin Coupling Trend in 1-X-Cyclopropanes: Experimental and DFT Study

scientific article published on 25 October 2008

Anomeric Effect on Geminal and VicinalJHHNMR Coupling Constants

Cobalt-Catalyzed Stereoselective Synthesis of 2,5- trans-THF Nitrile Derivatives as a Platform for Diversification: Development and Mechanistic Studies

scientific article published on 14 June 2018

Computational evidence for intramolecular hydrogen bonding and nonbonding X···O interactions in 2'-haloflavonols.

scientific article published on 19 January 2012

Conformational analysis and intramolecular interactions of L-proline methyl ester and its N-acetylated derivative through spectroscopic and theoretical studies

scientific article published on 21 February 2014

Conformational analysis and stereoelectronic effects in trans-1,2-dihalocyclohexanes: 1H NMR and theoretical investigation

scientific article published in June 2005

Conformational analysis of 2-halocyclopentanones by NMR and IR spectroscopies and theoretical calculations

scientific article published on 9 January 2009

Conformational analysis of fluoroacetoxime and of itsO-methyl ether by1H,13C and15N NMR and theoretical calculations

article

Conformational analysis of small molecules: NMR and quantum mechanics calculations

scientific article

Conformational and electronic interaction studies of some p-substituted α-methylsulfonyl-α-diethoxyphosphorylacetophenones

Conformational and stereoelectronic investigation of chloromethyl methyl sulfide and its sulfinyl and sulfonyl analogs

Conformational behavior of cis-2-methoxy, cis-2-methylthio, and cis-2-methylselenocyclohexanol: a theoretical and experimental investigation

scientific article published on 01 August 2006

Conformational behaviour in S-methyl halothioacetates through NMR, FT-IR, and theoretical calculations

Conformational preferences and orbital interactions for methyl haloacetates

scientific article published on 15 December 2005

Conformational preferences for N,N-dimethyl-2-haloacetamides (halo=F, Cl, Br and I) through theoretical and experimental studies: An unexpected orbital interaction

article

Conformational preferences for some 5-substituted 2-acetylthiophenes through infrared spectroscopy and theoretical calculations

scientific article published on 26 May 2011

Conformational preferences of 2-methoxy, 2-methylthio, and 2-methylselenocyclohexyl-N,N-dimethylcarbamate: a theoretical and experimental investigation

scientific article published on 20 October 2007

Conformational properties of trans-2-halo-acetoxycyclohexanes: 1H NMR, solvation and theoretical investigation

Counterintuitive deshielding on the 13 C NMR chemical shift for the trifluoromethyl anion

scientific article published on 08 November 2019

Dealing with Hydrogen Bonding on the Conformational Preference of 1,3-Aminopropanols: Experimental and Molecular Dynamics Approaches

scientific article published on 26 September 2019

Dealing with supramolecular structure for ionic liquids: a DOSY NMR approach

scientific article published on 01 January 2019

Density functionals for calculating NMR 1JCH coupling constants in electron-rich systems

Difference between ²JC2H3 and ²JC3H2 spin-spin couplings in heterocyclic five- and six-membered rings as a probe for studying σ-ring currents: a quantum chemical analysis.

scientific article published on 5 September 2010

Effect of electronic interactions on NMR 1J(CF) and 2J(CF) couplings in cis- and trans-4-t-butyl-2-fluorocyclohexanones and their alcohol derivatives

scientific article published on 12 May 2011

Effect of sulfur oxidation on the transmission mechanism of 4J(HH) NMR coupling constants in 1,3-dithiane.

scientific article published in March 2009

Effects of stereoelectronic interactions on the relativistic spin–orbit and paramagnetic components of the 13C NMR shielding tensors of dihaloethenes

scientific article published on 01 July 2015

Electronic Interactions and Their Influence on the Conformational Stability oftrans-2-Halocyclopentanol

scientific article published on 01 January 2007

Enantiodiscrimination by matrix-assisted DOSY NMR

scientific article published on 01 July 2019

Experimental and DFT studies on the transmission mechanisms of analogous NMR JCH and JCC couplings in 1-X- and 1-X-3-methylbicyclo[1.1.1]-pentanes

scientific article published on 01 July 2007

Experimental and Theoretical Studies of Intramolecular Hydrogen Bonding in 3-Hydroxytetrahydropyran: Beyond AIM Analysis

article

Experimental and theoretical evaluation of trans-3-halo-2-hydroxy-tetrahydropyran conformational preferences. Beyond anomeric interaction

scholarly article in RSC Advances, vol. 5 no. 45, 2015

Experimental and theoretical investigation of NMR2JHH coupling constant on six-membered ring systems containing oxygen or sulfur atoms

scientific article published on 01 July 2007

Experimental and theoretical study of hyperconjugative interaction effects on NMR 1J(CH) scalar couplings

scientific article published on 01 March 2006

Experimental, SOPPA(CCSD), and DFT Analysis of Substitutent Effects on NMR1JCFCoupling Constants in Fluorobenzene Derivatives

article

FESTA: An Efficient Nuclear Magnetic Resonance Approach for the Structural Analysis of Mixtures Containing Fluorinated Species.

scientific article published on 26 March 2018

Gauche Preference of β-Fluoroalkyl Ammonium Salts

scientific article published on 03 January 2014

Heavy Halogen Atom Effect on13C NMR Chemical Shifts in Monohalo Derivatives of Cyclohexane and Pyran. Experimental and Theoretical Study

scientific article published on 01 September 2009

Improving the Sensitivity of FESTA Methods for the Analysis of Fluorinated Mixtures

scientific article published on 03 January 2020

Influence of β-substituents in aldol reactions of boron enolates of β-alkoxy methylketones

scientific article published on 01 November 2010

Infrared spectroscopy and theoretical calculations as tools for the conformational analysis of 2-methoxycyclohexanone

scientific article published in April 2003

Intra- and intermolecular hydrogen bonds in alkyl and silyl ethers: experimental and theoretical analysis

scientific article published on 23 December 2007

Is there an intramolecular hydrogen bond in 2-halophenols? A theoretical and spectroscopic investigation

scientific article published on 9 September 2015

Isolation and chemical characterization of PwTx-II: a novel alkaloid toxin from the venom of the spider Parawixia bistriata (Araneidae, Araneae).

scientific article published on 23 September 2005

Lone-Pair Orientation Effect of an α-Oxygen Atom on (1)JCC NMR Spin-Spin Coupling Constants in o-Substituted Phenols. Experimental and DFT Study

scientific article published on 01 July 2007

Long-range J(CH) heteronuclear coupling constants in cyclopentane derivatives.

scientific article

Long-range JCH heteronuclear coupling constants in cyclopentane derivatives. Part II

scientific article published on 01 January 2007

Matrix-assisted diffusion-ordered spectroscopy: application of surfactant solutions to the resolution of isomer spectra

scientific article published on 01 May 2012

Matrix-assisted diffusion-ordered spectroscopy: mixture resolution by NMR using SDS micelles

scientific article published on 01 July 2010

Monoamine oxidase inhibitory activities of indolylalkaloid toxins from the venom of the colonial spider Parawixia bistriata: functional characterization of PwTX-I.

scientific article published on 6 June 2009

Multinuclear magnetic resonance and theoretical calculations in the study of structure and tautomerism of some 2-amino-N'-(aryl)-benzamidines.

scientific article published in November 2003

NMR spin-spin couplings involving nuclei in the neighborhood of a carbonyl group.3JCH couplings in α-substituted acetamides

scientific article published on 01 March 2008

NMR spin–spin coupling constants: bond angle dependence of the sign and magnitude of the vicinal 3JHF coupling

scientific article published on 01 August 2016

Nigriventrine: A low molecular mass neuroactive compound from the venom of the spider Phoneutria nigriventer

scientific article published on 07 December 2010

On the (4)J(HH) long-range coupling in 2-bromocyclohexanone: conformational insights

scientific article

Orbital Interactions and Their Effects on13C NMR Chemical Shifts for 4,6-Disubstituted-2,2-dimethyl-1,3-dioxanes. A Theoretical Study

scientific article published on 01 July 2005

Phenylalanine and tyrosine methyl ester intramolecular interactions and conformational analysis by 1H NMR and infrared spectroscopies and theoretical calculations

article

Polybioside, a neuroactive compound from the venom of the social wasp Polybia paulista

scientific article published in April 2010

Predicting Counterion Effects Using a Gold Affinity Index and a Hydrogen Bonding Basicity Index

scientific article published on 01 November 2017

Probing the Formation of Wormlike Micelles Formed by Cationic Surfactant with Chlorobenzoate Derivatives

scientific article published on 20 December 2019

Qualitative study of substituent effects on NMR (15)N and (17)O chemical shifts

scientific article published on 01 September 2009

Revealing the Conformational Preferences of Proteinogenic Glutamic Acid Derivatives in Solution by 1H NMR Spectroscopy and Theoretical Calculations.

scientific article published on 17 April 2018

Revisiting NMR through-space J(FF) spin-spin coupling constants for getting insight into proximate F---F interactions

scientific article published on 30 June 2014

Revisiting the Long-Range Perlin Effect in a Conformationally Constrained Oxocane

scientific article published on 23 August 2018

Solvent effects in the 2JHH, 3JHH, 1JNC and 2JNC coupling constants in the NMR spectrum of acetylcholine chloride

Solvent effects in the conformational stability of α-substituted acetamides through theoretical and experimental data

article published in 2008

Spectroscopic and theoretical studies of some N-methoxy-N-methyl-2-[(4′-substituted) phenylthio]propanamides

Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides

Stereochemical dependence of 3JCH coupling constants in 2-substituted 4-t-butyl-cyclohexanone and their alcohol derivatives

scientific article published on 23 November 2011

Stereochemical dependence of NMR geminal spin-spin coupling constants

scientific article published on 01 February 2009

Stereoelectronic interaction and their effects on conformational preference for 2-substituted methylenecyclohexane: an experimental and theoretical investigation

scientific article published on 20 August 2008

Stereoelectronic interactions and the one-bond C-F coupling constant in sevoflurane

scientific article published on 2 February 2012

Structural determination of Zn and Cd-DTPA complexes: MS, infrared, (13)C NMR and theoretical investigation

scientific article published on 30 January 2007

Structural investigations of 5-hydroxy-4,5-dihydroisoxazoles

Structure Determination of an Organometallic 1-(Diazenylaryl)ethanol: A Novel Toxin Subclass from the Web of the Spider Nephila clavipes

scientific article published on 01 June 2004

Structure determination of a tetrahydro-beta-carboline of arthropod origin: a novel alkaloid-toxin subclass from the web of spider Nephila clavipes.

scientific article published on April 2005

Studies on the s-cis-trans isomerism for some furan derivatives through IR and NMR spectroscopies and theoretical calculations

scientific article published on 17 November 2012

The Antagonist Effect of Nitrogen Lone Pair: 3 J HF versus 5 J HF

scientific article published on 17 April 2018

The F⋯HO intramolecular hydrogen bond forming five-membered rings hardly appear in monocyclic organofluorine compounds

article

The case of infrared carbonyl stretching intensities of 2-bromocyclohexanone: Conformational and intermolecular interaction insights

The case of intramolecular hydrogen bonding, hyperconjugation and classical effects on the conformational isomerism of substituted carbonyl and thiocarbonyl compounds

The effect of carbonyl group in the asymmetry of 3,4JCH coupling constants in norbornanones.

scientific article

The electronic origin of unusually large (n)J(FN) coupling constants in some fluoroximes

scientific article published on 04 April 2013

The halogen effect on the 13C NMR chemical shift in substituted benzenes

scientific article published on 01 April 2018

The role of stereoelectronic interactions in the conformational isomerism of some phosphorus-containing model compounds

The role of β-bulky substituents in aldol reactions of boron enolates of methylketones with aldehydes: experimental and theoretical studies by DFT analysis

scientific article published on 02 February 2012

The unexpected roles of σ and π orbitals in electron donor and acceptor group effects on the 13C NMR chemical shifts in substituted benzenes

scientific article published on 21 July 2017

The utility of infrared spectroscopy for quantitative conformational analysis at a single temperature

scientific article published in June 2003

The venomous secrets of the web droplets from the viscid spiral of the orb-weaver spider Nephila clavipes (Araneae, Tetragnatidae).

scientific article published in July 2006

Theoretical and Infrared Investigation of the Conformations of 1,3-Dihaloacetones

Theoretical and experimental investigation on the rotational isomerism in alpha-fluoroacetophenones

scientific article

Theoretical and infrared studies on the conformational isomerism of trans-2-bromo-alkoxycyclohexanes

scientific article published on 23 June 2011

Theoretical and infrared studies on the conformations of monofluorophenols

Trends of intramolecular hydrogen bonding in substituted alcohols: a deeper investigation

scientific article published on 19 June 2017

Ultrahigh-Resolution Diffusion-Ordered Spectroscopy.

scientific article

Unexpected behavior of the 3 JCH coupling constant in unsaturated compounds

scientific article published on 07 June 2019

Unexpected geometrical effects on paramagnetic spin-orbit and spin-dipolar 2J(FF) couplings.

scientific article

Unusual through-space, TS, pathway for the transmission of J(FHf) coupling: 2-fluorobenzaldehyde study case

scientific article published on 12 August 2013

pH influences hydrolysis of sodium polyphosphate in dairy matrices and the structure of processed cheese

scientific article

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