scholarly journals Computational Studies on the Excited States of Luminescent Platinum(II) Alkynyl Systems of Tridentate Pincer Ligands in Radiative and Nonradiative Processes

2013 ◽  
Vol 135 (40) ◽  
pp. 15135-15143 ◽  
Author(s):  
Wai Han Lam ◽  
Elizabeth Suk-Hang Lam ◽  
Vivian Wing-Wah Yam
Keyword(s):  
Excited States ◽  
Pincer Ligands ◽  
Computational Studies ◽  
Nonradiative Processes

Intramolecular donor-acceptor systems. Radiative and nonradiative processes for the excited states of 2-N-arylamino-6-naphthalenesulfonates

1975 ◽  
Vol 97 (8) ◽  
pp. 2167-2178 ◽  
Author(s):  
Edward M. Kosower ◽  
Hanna Dodiuk ◽  
Kazutake Tanizawa ◽  
Michael Ottolenghi ◽  
Naomi Orbach
Keyword(s):  
Excited States ◽  
Donor Acceptor ◽  
Nonradiative Processes

Mechanisms of Electrochemical N2 Splitting by a Molybdenum Pincer Complex

2021 ◽  
Author(s):  
Quinton Bruch ◽  
Santanu Malakar ◽  
Alan Goldman ◽  
Alexander Miller
Keyword(s):  
Electrode Surface ◽  
Redox Reactions ◽  
Catalytic Reduction ◽  
Reaction Pathways ◽  
Bulk Solution ◽  
Mechanistic Study ◽  
Pincer Ligands ◽  
Computational Studies ◽  
Pincer Complex ◽  
Bond Scission

Molybdenum complexes supported by tridentate pincer ligands are exceptional catalysts for dinitrogen fixation using chemical reductants, but little is known about their prospects for electrochemical reduction of dinitrogen. The viability of electrochemical N2 binding and splitting by a molybdenum(III) pincer complex, (pyPNP)MoBr3 (pyPNP = 2,6-bis(tBu2PCH2)-C5H3N)), is established in this work, providing a foundation for a detailed mechanistic study of electrode-driven formation of the nitride complex (pyPNP)Mo(N)Br. Electrochemical kinetic analysis, optical and vibrational spectroelectrochemical monitoring, and computational studies point to two reaction pathways: in the “reaction layer” pathway, the molybdenum(III) precursor is reduced by 2e– and generates a bimetallic molybdenum(I) Mo2(-N2) species capable of N–N bond scission. In the “bulk solution” pathway the precursor is reduced by 3e– at the electrode surface to generate molybdenum(0) species that undergo chemical redox reactions via comproportionation in the bulk solution away from the electrode surface to generate the same bimetallic molybdenum(I) species capable of N2 cleavage. The comproportionation reactions reveal the surprising intermediacy of dimolybdenum(0) complex trans,trans-[(pyPNP)Mo(N2)2](-N2) in N2 splitting pathways. The same “over-reduced” molybdenum(0) species was also found to cleave N2 upon addition of lutidinium, an acid frequently used in catalytic reduction of dinitrogen.

Low-lying excited states and nonradiative processes of the adenine analogues 7H- and 9H-2-aminopurine

2011 ◽  
Vol 134 (11) ◽  
pp. 114307 ◽  
Author(s):  
Simon Lobsiger ◽  
Rajeev K. Sinha ◽  
Maria Trachsel ◽  
Samuel Leutwyler
Keyword(s):  
Excited States ◽  
Adenine Analogues ◽  
Nonradiative Processes

scholarly journals Understanding the Multiconfigurational Ground and Excited States in Lanthanide Tetrakis Bipyridine Complexes from Experimental and CASSCF Computational Studies

2019 ◽  
Vol 58 (18) ◽  
pp. 12083-12098 ◽  
Author(s):  
Robert L. Halbach ◽  
Grégory Nocton ◽  
Jorge I. Amaro-Estrada ◽  
Laurent Maron ◽  
Corwin H. Booth ◽  
...  
Keyword(s):  
Excited States ◽  
Computational Studies

scholarly journals Silver(i), gold(i) and palladium(ii) complexes of a NHC-pincer ligand with an aminotriazine core: a comparison with pyridyl analogues

2016 ◽  
Vol 45 (4) ◽  
pp. 1484-1495 ◽  
Author(s):  
Jamila Vaughan ◽  
Damien J. Carter ◽  
Andrew L. Rohl ◽  
Mark I. Ogden ◽  
Brian W. Skelton ◽  
...  
Keyword(s):  
Pincer Ligands ◽  
Computational Studies ◽  
Pincer Ligand ◽  
Gold Complexes

The twisted vs. linear conformation of newly synthesised silver and gold complexes of chelating C,N,C diethylaminotriazinyl-bridged bis(NHC) pincer ligands have been rationalised by computational studies.

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