Literature DB >> 31083988

Hydrogen Bonding to a Dinitrogen Complex at Room Temperature: Impacts on N2 Activation.

James P Shanahan1, Nathaniel K Szymczak1.   

Abstract

We report an experimental and computational analysis of the effects of hydrogen bonding to a metal dinitrogen complex. A series of H-bond donors over a wide p Ka range (Δ 20) interact with the nitrogen unit of a ReI-(N2) complex at room temperature. Analysis by 15N NMR, IR spectroscopy, association equilibria, and DFT studies indicates that the H-bonding interaction polarizes and weakens the N-N bond. These results provide insight into the role of the secondary sphere residues in nitrogenase enzymes.

Entities:  

Year:  2019        PMID： 31083988      PMCID： PMC6541522          DOI： 10.1021/jacs.9b02288

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN： 0002-7863            Impact factor:   15.419


  31 in total

1.  Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

Authors:  Florian Weigend; Reinhart Ahlrichs
Journal:  Phys Chem Chem Phys       Date:  2005-08-04       Impact factor: 3.676

2.  Terminal phosphide and dinitrogen molybdenum compounds obtained from pnictide-bridged precursors.

Authors:  J P Cherry; F H Stephens; M J Johnson; P L Diaconescu; C C Cummins
Journal:  Inorg Chem       Date:  2001-12-31       Impact factor: 5.165

Review 3.  Homogeneous iron complexes for the conversion of dinitrogen into ammonia and hydrazine.

Authors:  Nilay Hazari
Journal:  Chem Soc Rev       Date:  2010-06-23       Impact factor: 54.564

4.  Reduction of dinitrogen to ammonia at a well-protected reaction site in a molybdenum triamidoamine complex.

Authors:  Dmitry V Yandulov; Richard R Schrock
Journal:  J Am Chem Soc       Date:  2002-06-05       Impact factor: 15.419

5.  Revealing noncovalent interactions.

Authors:  Erin R Johnson; Shahar Keinan; Paula Mori-Sánchez; Julia Contreras-García; Aron J Cohen; Weitao Yang
Journal:  J Am Chem Soc       Date:  2010-05-12       Impact factor: 15.419

6.  Theoretical, spectroscopic, and mechanistic studies on transition-metal dinitrogen complexes: implications to reactivity and relevance to the nitrogenase problem.

Authors:  Felix Studt; Felix Tuczek
Journal:  J Comput Chem       Date:  2006-09       Impact factor: 3.376

7.  A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu.

Authors:  Stefan Grimme; Jens Antony; Stephan Ehrlich; Helge Krieg
Journal:  J Chem Phys       Date:  2010-04-21       Impact factor: 3.488

8.  A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.

Authors:  Kazuya Arashiba; Yoshihiro Miyake; Yoshiaki Nishibayashi
Journal:  Nat Chem       Date:  2010-12-05       Impact factor: 24.427

9.  Catalytic reduction of dinitrogen to ammonia at a single molybdenum center.

Authors:  Dmitry V Yandulov; Richard R Schrock
Journal:  Science       Date:  2003-07-04       Impact factor: 47.728

10.  Climbing nitrogenase: toward a mechanism of enzymatic nitrogen fixation.

Authors:  Brian M Hoffman; Dennis R Dean; Lance C Seefeldt
Journal:  Acc Chem Res       Date:  2009-05-19       Impact factor: 22.384
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  4 in total

1.  Examining the Generality of Metal-Ligand Cooperativity Across a Series of First-Row Transition Metals: Capture, Bond Activation, and Stabilization.

Authors:  John J Kiernicki; Matthias Zeller; Nathaniel K Szymczak
Journal:  Inorg Chem       Date:  2020-06-18       Impact factor: 5.165

2.  Complete cleavage of the N≡N triple bond by Ta2N+ via degenerate ligand exchange at ambient temperature: A perfect catalytic cycle.

Authors:  Caiyun Geng; Jilai Li; Thomas Weiske; Helmut Schwarz
Journal:  Proc Natl Acad Sci U S A       Date:  2019-10-07       Impact factor: 11.205

3.  Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine.

Authors:  John J Kiernicki; Emily E Norwine; Matthias Zeller; Nathaniel K Szymczak
Journal:  Chem Commun (Camb)       Date:  2019-10-01       Impact factor: 6.222

4.  Hydrogen-bonded nickel(I) complexes.

Authors:  Jessica R Wilson; Matthias Zeller; Nathaniel K Szymczak
Journal:  Chem Commun (Camb)       Date:  2021-01-26       Impact factor: 6.222
  4 in total

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