List of works - Manuel Temprado

A Retro Diels–Alder Route to Diphosphorus Chemistry: Molecular Precursor Synthesis, Kinetics of P2 Transfer to 1,3-Dienes, and Detection of P2 by Molecular Beam Mass Spectrometry

scientific article published on 19 September 2014

Calorimetric and computational study of 1,3- and 1,4-oxathiane sulfones

scientific article published on 01 February 2007

Calorimetric and computational study of 1,3-dithiacyclohexane 1,1-dioxide (1,3-dithiane sulfone).

scientific article published in March 2004

Calorimetric and computational study of 1,4-dithiacyclohexane 1,1-dioxide (1,4-dithiane sulfone)

scientific article published on 01 March 2006

Calorimetric and computational study of 3-buten-1-ol and 3-butyn-1-ol. Estimation of the enthalpies of formation of 1-alkenols and 1-alkynols

scientific article published on 01 September 2005

Coordination-mode control of bound nitrile radical complex reactivity: intercepting end-on nitrile-Mo(III) radicals at low temperature.

scientific article

Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons

article

Experimental and computational studies of binding of dinitrogen, nitriles, azides, diazoalkanes, pyridine, and pyrazines to M(PR(3))(2)(CO)(3) (M = Mo, W; R = Me, (i)Pr).

scientific article published in August 2009

Experimental and computational thermochemical study and solid-phase structure of 5,5-dimethylbarbituric acid.

scientific article published in March 2010

Experimental and computational thermochemical study of 2- and 3-thiopheneacetic acid methyl esters

scientific article published on 26 May 2007

Experimental and computational thermochemical study of barbituric acids: structure-energy relationship in 1,3-dimethylbarbituric acid

scientific article published on 23 March 2011

Experimental and theoretical study of the structures and enthalpies of formation of 3H-1,3-benzoxazole-2-thione, 3H-1,3-benzothiazole-2-thione, and their tautomers.

scientific article published in June 2010

Experimental and theoretical study of the structures and enthalpies of formation of the synthetic reagents 1,3-thiazolidine-2-thione and 1,3-oxazolidine-2-thione.

scientific article published in October 2009

Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework

scientific article published on 10 July 2013

Lewis acid fragmentation of a lithium aryloxide cage: generation of new heterometallic aluminium-lithium species

scientific article published on 28 September 2011

Ligand-Directed Reactivity in Dioxygen and Water Binding to cis-[Pd(NHC)2(η2-O2)].

scientific article published on 27 November 2017

Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds.

scientific article published on 13 July 2017

Modulating Nitric Oxide Release by S-Nitrosothiol Photocleavage: Mechanism and Substituent Effects

scientific article published on 20 June 2012

Oxygen Binding to [Pd(L)(L′)] (L= NHC, L′ = NHC or PR3, NHC =N-Heterocyclic Carbene). Synthesis and Structure of a Paramagnetictrans-[Pd(NHC)2(η1-O2)2] Complex

scientific article published on 04 January 2011

Role of Axial Base Coordination in Isonitrile Binding and Chalcogen Atom Transfer to Vanadium(III) Complexes

scientific article published on 03 October 2014

Structural Substituent Effect in the Excitation Energy of a Chromophore: Quantitative Determination and Application to S-Nitrosothiols

Structure-energy relationship in barbituric acid: a calorimetric, computational, and crystallographic study

scientific article published on 23 July 2008

Substituent effects on enthalpies of formation of nitrogen heterocycles: 2-substituted benzimidazoles and related compounds

scientific article published in February 2006

Substituent effects on the thermochemistry of thiophenes. a theoretical (G3(MP2)//B3LYP and G3) study

scientific article published on 19 April 2012

Synthesis of novel chiral heterometallic terpene oximates: unusual generation of an aluminium enolate by a cooperative effect.

scientific article published on 15 June 2016

The Puzzling Monopentamethylcyclopentadienyltitanium(III) Dichloride Reagent: Structure and Properties

scientific article published on 03 April 2019

The thermochemistry of 2,4-pentanedione revisited: observance of a nonzero enthalpy of mixing between tautomers and its effects on enthalpies of formation

scientific article published on 01 June 2005

Thermochemistry of 1,3-dithiacyclohexane 1-oxide (1,3-dithiane sulfoxide): calorimetric and computational study

scientific article

Thermochemistry of 2,5-thiophenedicarboxylic acid

scientific article published on 01 November 2006

Thermochemistry of 2- and 3-acetylthiophenes: calorimetric and computational study.

scientific article published on 5 October 2007

Thermochemistry of 2- and 3-thiopheneacetic acids: calorimetric and computational study.

scientific article

Thermodynamic and kinetic studies of H atom transfer from HMo(CO)3(eta(5)-C5H5) to Mo(N[t-Bu]Ar)3 and (PhCN)Mo(N[t-Bu]Ar)3: direct insertion of benzonitrile into the Mo-H bond of HMo(N[t-Bu]Ar)3 forming (Ph(H)C=N)Mo(N[t-Bu]Ar)3.

scientific article

Thermodynamic and kinetic study of cleavage of the N-O bond of N-oxides by a vanadium(III) complex: enhanced oxygen atom transfer reaction rates for adducts of nitrous oxide and mesityl nitrile oxide

scientific article published on 18 July 2013

Thermodynamic, Kinetic, Structural, and Computational Studies of the Ph3Sn-H, Ph3Sn-SnPh3, and Ph3Sn-Cr(CO)3C5Me5 Bond Dissociation Enthalpies

scientific article

Thermodynamic, kinetic, and mechanistic study of oxygen atom transfer from mesityl nitrile oxide to phosphines and to a terminal metal phosphido complex

scientific article published on 29 August 2011

Two-Step Binding of O2 to a Vanadium(III) Trisanilide Complex To Form a Non-Vanadyl Vanadium(V) Peroxo Complex

scientific article published on 29 October 2012

List of works by Manuel Temprado

A Retro Diels–Alder Route to Diphosphorus Chemistry: Molecular Precursor Synthesis, Kinetics of P2 Transfer to 1,3-Dienes, and Detection of P2 by Molecular Beam Mass Spectrometry

Calorimetric and computational study of 1,3- and 1,4-oxathiane sulfones

Calorimetric and computational study of 1,3-dithiacyclohexane 1,1-dioxide (1,3-dithiane sulfone).

Calorimetric and computational study of 1,4-dithiacyclohexane 1,1-dioxide (1,4-dithiane sulfone)

Calorimetric and computational study of 3-buten-1-ol and 3-butyn-1-ol. Estimation of the enthalpies of formation of 1-alkenols and 1-alkynols

Coordination-mode control of bound nitrile radical complex reactivity: intercepting end-on nitrile-Mo(III) radicals at low temperature.

Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons

Experimental and computational studies of binding of dinitrogen, nitriles, azides, diazoalkanes, pyridine, and pyrazines to M(PR(3))(2)(CO)(3) (M = Mo, W; R = Me, (i)Pr).

Experimental and computational thermochemical study and solid-phase structure of 5,5-dimethylbarbituric acid.

Experimental and computational thermochemical study of 2- and 3-thiopheneacetic acid methyl esters

Experimental and computational thermochemical study of barbituric acids: structure-energy relationship in 1,3-dimethylbarbituric acid

Experimental and theoretical study of the structures and enthalpies of formation of 3H-1,3-benzoxazole-2-thione, 3H-1,3-benzothiazole-2-thione, and their tautomers.

Experimental and theoretical study of the structures and enthalpies of formation of the synthetic reagents 1,3-thiazolidine-2-thione and 1,3-oxazolidine-2-thione.

Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework

Lewis acid fragmentation of a lithium aryloxide cage: generation of new heterometallic aluminium-lithium species

Ligand-Directed Reactivity in Dioxygen and Water Binding to cis-[Pd(NHC)2(η2-O2)].

Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds.

Modulating Nitric Oxide Release by S-Nitrosothiol Photocleavage: Mechanism and Substituent Effects

Oxygen Binding to [Pd(L)(L′)] (L= NHC, L′ = NHC or PR3, NHC =N-Heterocyclic Carbene). Synthesis and Structure of a Paramagnetictrans-[Pd(NHC)2(η1-O2)2] Complex

Role of Axial Base Coordination in Isonitrile Binding and Chalcogen Atom Transfer to Vanadium(III) Complexes

Structural Substituent Effect in the Excitation Energy of a Chromophore: Quantitative Determination and Application to S-Nitrosothiols

Structure-energy relationship in barbituric acid: a calorimetric, computational, and crystallographic study

Substituent effects on enthalpies of formation of nitrogen heterocycles: 2-substituted benzimidazoles and related compounds

Substituent effects on the thermochemistry of thiophenes. a theoretical (G3(MP2)//B3LYP and G3) study

Synthesis of novel chiral heterometallic terpene oximates: unusual generation of an aluminium enolate by a cooperative effect.

The Puzzling Monopentamethylcyclopentadienyltitanium(III) Dichloride Reagent: Structure and Properties

The thermochemistry of 2,4-pentanedione revisited: observance of a nonzero enthalpy of mixing between tautomers and its effects on enthalpies of formation

Thermochemistry of 1,3-dithiacyclohexane 1-oxide (1,3-dithiane sulfoxide): calorimetric and computational study

Thermochemistry of 2,5-thiophenedicarboxylic acid

Thermochemistry of 2- and 3-acetylthiophenes: calorimetric and computational study.

Thermochemistry of 2- and 3-thiopheneacetic acids: calorimetric and computational study.

Thermodynamic and kinetic studies of H atom transfer from HMo(CO)3(eta(5)-C5H5) to Mo(N[t-Bu]Ar)3 and (PhCN)Mo(N[t-Bu]Ar)3: direct insertion of benzonitrile into the Mo-H bond of HMo(N[t-Bu]Ar)3 forming (Ph(H)C=N)Mo(N[t-Bu]Ar)3.

Thermodynamic and kinetic study of cleavage of the N-O bond of N-oxides by a vanadium(III) complex: enhanced oxygen atom transfer reaction rates for adducts of nitrous oxide and mesityl nitrile oxide

Thermodynamic, Kinetic, Structural, and Computational Studies of the Ph3Sn-H, Ph3Sn-SnPh3, and Ph3Sn-Cr(CO)3C5Me5 Bond Dissociation Enthalpies

Thermodynamic, kinetic, and mechanistic study of oxygen atom transfer from mesityl nitrile oxide to phosphines and to a terminal metal phosphido complex

Two-Step Binding of O2 to a Vanadium(III) Trisanilide Complex To Form a Non-Vanadyl Vanadium(V) Peroxo Complex

Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation