Literature DB >> 25340722

Similar strength of the NH···O and NH···S hydrogen bonds in binary complexes.

Cecilie L Andersen1, Christine S Jensen, Kasper Mackeprang, Lin Du, Solvejg Jørgensen, Henrik G Kjaergaard.   

Abstract

The weakly interacting complexes of dimethylamine with dimethyl ether (DMA-DME) and with dimethylsulfide (DMA-DMS) have been detected in the gas phase using Fourier transform infrared spectroscopy at room temperature. The observed redshift of the fundamental NH-stretching frequency was found to be extremely small with only 5 and 19 cm(-1) for DMA-DME and DMA-DMS, respectively. The experimentally determined integrated absorbance has been combined with a calculated oscillator strength to determine an equilibrium constant of 2 × 10(-3) and 4 × 10(-3) for the DMA-DME and DMA-DMS complexes, respectively. The topological analyses reveal that several hydrogen bond interactions are present in the complexes. The calculated binding energies, geometric parameters, observed redshifts, and topological analyses suggest that oxygen and sulfur are hydrogen bond acceptors of similar strength.

Entities:  

Year:  2014        PMID: 25340722     DOI: 10.1021/jp5086679

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN: 1089-5639            Impact factor:   2.781


  4 in total

1.  Coinage Metal Complexes of the Carbenic Tautomer of a Conjugated Mesomeric Betaine Akin to Nitron.

Authors:  Charlotte Thie; Clemens Bruhn; Michael Leibold; Ulrich Siemeling
Journal:  Molecules       Date:  2017-07-07       Impact factor: 4.411

2.  Interactions, electronic and optical properties of nanographene-peptide complexes: a theoretical study.

Authors:  Ruby Srivastava
Journal:  RSC Adv       Date:  2020-10-21       Impact factor: 4.036

3.  The Influence of the Position of the Double Bond and Ring Size on the Stability of Hydrogen Bonded Complexes.

Authors:  Shumin Cheng; Shanshan Tang; Narcisse T Tsona; Lin Du
Journal:  Sci Rep       Date:  2017-09-12       Impact factor: 4.379

4.  A cinnamaldehyde Schiff base of S-(4-methyl-benz-yl) di-thio-carbazate: crystal structure, Hirshfeld surface analysis and computational study.

Authors:  Enis Nadia Md Yusof; Mohamed I M Tahir; Thahira B S A Ravoof; Sang Loon Tan; Edward R T Tiekink
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2017-03-21
  4 in total

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