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Literature DB >> 23956683

A Valence Bond Description of Dizwitterionic Dithiolene Character in an Oxomolybdenum-bis(dithione).

Regina P Mtei¹, Eranda Perera, Benjamin Mogesa, Benjamin Stein, Partha Basu, Martin L Kirk.

Abstract

Metallo-dithiolenen> non-innocence is explored in an oxomolybdenum-bis(dithione) complex, [Mo4+O(i-Pr2Pipdt)2Cl][PF6] (where i-Pr2Pipdt is N,N'-piperazine-2,3-dithione), that possesses a piperazine ring as an integral part of the dithiolene ligand. The title complex displays unusual spectroscopic features for a formally reduced Mo(IV) dithiolene complex, namely a low energy metal-to-ligand charge transfer band with appreciable intensity and C-C and C-S stretching frequencies that are markedly different from those of oxomolydenum complexes coordinated to dianionic dithiolene ligands. The electronic structure of the ligand has been described in valence bond terms as a resonance hybrid of dithione and dizwitterionic dithiolene contributing structures.

Entities: Chemical Disease Gene Species

Keywords: Raman; dithiolene; electronic structure; molybdenum; zwitterionic

Year: 2011 PMID： 23956683 PMCID： PMC3742805 DOI： 10.1002/ejic.201101084

Source DB: PubMed Journal: Eur J Inorg Chem ISSN： 1434-1948 Impact factor: 2.524

9 in total

Review 1. Molybdenum enzymes containing the pyranopterin cofactor: an overview.

Authors: Russ Hille
Journal: Met Ions Biol Syst Date: 2002

2. The Mononuclear Molybdenum Enzymes.

Authors: Russ Hille
Journal: Chem Rev Date: 1996-11-07 Impact factor: 60.622

3. Thermally driven intramolecular charge transfer in an oxo-molybdenum dithiolate complex.

Authors: M E Helton; N L Gebhart; E S Davies; J McMaster; C D Garner; M L Kirk
Journal: J Am Chem Soc Date: 2001-10-24 Impact factor: 15.419

4. Synthesis, characterization and structure of a low coordinate desoxomolybdenum cluster stabilized by a dithione ligand.

Authors: Eranda Perera; Partha Basu
Journal: Dalton Trans Date: 2009-05-27 Impact factor: 4.390

5. Noninnocent dithiolene ligands: a new oxomolybdenum complex possessing a donor-acceptor dithiolene ligand.

Authors: Kelly G Matz; Regina P Mtei; Belinda Leung; Sharon J Nieter Burgmayer; Martin L Kirk
Journal: J Am Chem Soc Date: 2010-06-16 Impact factor: 15.419

6. Understanding the origin of metal-sulfur vibrations in an oxo-molybdenum dithiolene complex: relevance to sulfite oxidase.

Authors: Frank E Inscore; Sushilla Z Knottenbelt; Nick D Rubie; Hemant K Joshi; Martin L Kirk; John H Enemark
Journal: Inorg Chem Date: 2006-02-06 Impact factor: 5.165

7. Description of the ground-state covalencies of the bis(dithiolato) transition-metal complexes from X-ray absorption spectroscopy and time-dependent density-functional calculations.

Authors: Kallol Ray; Serena Debeer George; Edward I Solomon; Karl Wieghardt; Frank Neese
Journal: Chemistry Date: 2007 Impact factor: 5.236

8. Characterization and electronic structures of five members of the electron transfer series [Re(benzene-1,2-dithiolato)3](z) (z = 1+, 0, 1-, 2-, 3-): a spectroscopic and density functional theoretical study.

Authors: Stephen Sproules; Flávio Luiz Benedito; Eckhard Bill; Thomas Weyhermüller; Serena DeBeer George; Karl Wieghardt
Journal: Inorg Chem Date: 2009-12-07 Impact factor: 5.165

9. Description of the ground state wave functions of Ni dithiolenes using sulfur K-edge X-ray absorption spectroscopy.

Authors: Robert K Szilagyi; Booyong S Lim; Thorsten Glaser; Richard H Holm; Britt Hedman; Keith O Hodgson; Edward I Solomon
Journal: J Am Chem Soc Date: 2003-07-30 Impact factor: 15.419

9 in total

11 in total

A Valence Bond Description of Dizwitterionic Dithiolene Character in an Oxomolybdenum-bis(dithione).

Review 1. Molybdenum enzymes containing the pyranopterin cofactor: an overview.

2. The Mononuclear Molybdenum Enzymes.

3. Thermally driven intramolecular charge transfer in an oxo-molybdenum dithiolate complex.

4. Synthesis, characterization and structure of a low coordinate desoxomolybdenum cluster stabilized by a dithione ligand.

5. Noninnocent dithiolene ligands: a new oxomolybdenum complex possessing a donor-acceptor dithiolene ligand.

6. Understanding the origin of metal-sulfur vibrations in an oxo-molybdenum dithiolene complex: relevance to sulfite oxidase.

7. Description of the ground-state covalencies of the bis(dithiolato) transition-metal complexes from X-ray absorption spectroscopy and time-dependent density-functional calculations.

8. Characterization and electronic structures of five members of the electron transfer series [Re(benzene-1,2-dithiolato)3](z) (z = 1+, 0, 1-, 2-, 3-): a spectroscopic and density functional theoretical study.

9. Description of the ground state wave functions of Ni dithiolenes using sulfur K-edge X-ray absorption spectroscopy.

1. Large Ligand Folding Distortion in an Oxomolybdenum Donor-Acceptor Complex.

2. Pyranopterin Coordination Controls Molybdenum Electrochemistry in Escherichia coli Nitrate Reductase.

3. Recent developments in the study of molybdoenzyme models.

4. A mixed valence zinc dithiolene system with spectator metal and reactor ligands.

5. Pyranopterin conformation defines the function of molybdenum and tungsten enzymes.

6. Solution, Solid, and Gas Phase Studies on a Nickel Dithiolene System: Spectator Metal and Reactor Ligand.

Review 7. Nitrate and periplasmic nitrate reductases.

8. Implications of Pyran Cyclization and Pterin Conformation on Oxidized Forms of the Molybdenum Cofactor.

9. Interligand communication in a metal mediated LL'CT system - a case study.

10. Metal-Dithiolene Bonding Contributions to Pyranopterin Molybdenum Enzyme Reactivity.