Gas-phase basicities of polyfunctional molecules. Part 2: Saturated basic sites (Q37902998)

25 August 2017

Gas-phase basicities of polyfunctional molecules. Part 2: Saturated basic sites (English)

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25 August 2017

Guy Bouchoux

1

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PubMed ID

21773983

25 August 2017

Jean-Yves Salpin

series ordinal

2

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25 August 2017

19 July 2011

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Mass Spectrometry Reviews

25 August 2017

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25 August 2017

31

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25 August 2017

3

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25 August 2017

353-390

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Correlating thermochemical data for gas-phase ion chemistry

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Acidities in cyclohexanediols enhanced by intramolecular hydrogen bonds

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1 reference

On the extent of intramolecular hydrogen bonding in gas-phase and hydrated 1,2-ethanediol.

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Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds

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Comparison of quantum mechanical and experimental gas-phase basicities of amines and alcohols.

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Systematic and random errors in ion affinities and activation entropies from the extended kinetic method

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Aminomethanol water elimination: theoretical examination

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Thermochemical aspects of proton transfer in the gas phase

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Ab initio conformational studies on diols and binary diol-water systems using DFT methods. Intramolecular hydrogen bonding and 1:1 complex formation with water

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Hydrogen bonding in diols and binary diol-water systems investigated using DFT methods. II. Calculated infrared OH-stretch frequencies, force constants, and NMR chemical shifts correlate with hydrogen bond geometry and electron density topology. A r

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The proton affinity of the superbase 1,8-bis(tetramethylguanidino)naphthalene (TMGN) and some related compounds: a theoretical study

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Evaluated Gas Phase Basicities and Proton Affinities of Molecules; Heats of Formation of Protonated Molecules

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1 reference

Chemical ionization mass spectrometry of complex molecules. XI. stereochemical and conformational effects in the isobutane chemical ionization mass spectra of some steroidal amino alcohols

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The ionic hydrogen bond

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Estimation of the proton affinity values of fifteen matrix-assisted laser desorption/ionization matrices under electrospray ionization conditions using the kinetic method.

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Gas-phase basicities of the isomeric dihydroxybenzoic acids and gas-phase acidities of their radical cations

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Spectroscopic identification of carbenium and ammonium isomers of protonated aniline (AnH+): IR spectra of weakly bound AnH+ -Ln clusters (L = Ar, N2).

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cis-1,5-Diaminocyclooctane: the most basic gaseous primary amine?

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1,8-Bis(hexamethyltriaminophosphazenyl)naphthalene, HMPN: a superbasic bisphosphazene "proton sponge".

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Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost.

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Proton affinity of beta-oxalylaminoalanine (BOAA): incorporation of direct entropy correction into the single-reference kinetic method

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Intra-annular cyclophane diamines as proton sponges: a computational study

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Infrared spectra of hydrazine and products of its reactions with HF, F2, and O3 in solid argon

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Density Functionals with Broad Applicability in Chemistry

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Modeling Proton-Bound Methanol, Ammonia, and Amine Complexes of 12-Crown-4-Ether and Dimethoxyethane (“Glyme”) Using Density Functional Theory

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Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory

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Identifiers

DOI

10.1002/MAS.20343

1 reference

25 August 2017

1 reference

PubMed ID

21773983