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Title: A Planar Ti2P2 Core Assembled by Reductive Decarbonylation of O–C≡P and P–P Radical Coupling

Abstract

Abstract The complex [(nacnac)Ti(OAr)] 2222 ‐P 2 ) ( 1 ) is formed via reductive decarbonylation of the phosphaethynolate ion [OCP], which serves as a P atom source. Complex 1 is the first structurally characterized Group 4 transition metal P 2 complex and its structure reveals the rhombic Ti 2 P 2 core is essentially planar with short bond lengths suggesting some degree of multiple bonding character between the Ti–P and P–P sites. Computational studies of 1 provide an understanding of the Ti 2 P 2 core as well as the origin of the highly downfield 31 P NMR spectroscopic signal.

Authors:
 [1];  [2];  [1];  [3]; ORCiD logo [3]; ORCiD logo [1]
  1. Univ. of Pennsylvania, Philadelphia, PA (United States)
  2. Vrije Univ. Brussel (VUB) (Belgium)
  3. ETH Zürich (Switzerland)
Publication Date:
Research Org.:
Univ. of Pennsylvania, Philadelphia, PA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1843645
Alternate Identifier(s):
OSTI ID: 1400829
Grant/Contract Number:  
SC0012486
Resource Type:
Accepted Manuscript
Journal Name:
Chemistry - A European Journal
Additional Journal Information:
Journal Volume: 23; Journal Issue: 26; Journal ID: ISSN 0947-6539
Publisher:
ChemPubSoc Europe
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Grant, Lauren N., Pinter, Balazs, Manor, Brian C., Suter, Riccardo, Grützmacher, Hansjörg, and Mindiola, Daniel J. A Planar Ti2P2 Core Assembled by Reductive Decarbonylation of –O–C≡P and P–P Radical Coupling. United States: N. p., 2017. Web. doi:10.1002/chem.201701054.
Grant, Lauren N., Pinter, Balazs, Manor, Brian C., Suter, Riccardo, Grützmacher, Hansjörg, & Mindiola, Daniel J. A Planar Ti2P2 Core Assembled by Reductive Decarbonylation of –O–C≡P and P–P Radical Coupling. United States. https://doi.org/10.1002/chem.201701054
Grant, Lauren N., Pinter, Balazs, Manor, Brian C., Suter, Riccardo, Grützmacher, Hansjörg, and Mindiola, Daniel J. Wed . "A Planar Ti2P2 Core Assembled by Reductive Decarbonylation of –O–C≡P and P–P Radical Coupling". United States. https://doi.org/10.1002/chem.201701054. https://www.osti.gov/servlets/purl/1843645.
@article{osti_1843645,
title = {A Planar Ti2P2 Core Assembled by Reductive Decarbonylation of –O–C≡P and P–P Radical Coupling},
author = {Grant, Lauren N. and Pinter, Balazs and Manor, Brian C. and Suter, Riccardo and Grützmacher, Hansjörg and Mindiola, Daniel J.},
abstractNote = {Abstract The complex [(nacnac)Ti(OAr)] 2 (μ 2 :η 2 ,η 2 ‐P 2 ) ( 1 ) is formed via reductive decarbonylation of the phosphaethynolate ion − [OCP], which serves as a P atom source. Complex 1 is the first structurally characterized Group 4 transition metal P 2 complex and its structure reveals the rhombic Ti 2 P 2 core is essentially planar with short bond lengths suggesting some degree of multiple bonding character between the Ti–P and P–P sites. Computational studies of 1 provide an understanding of the Ti 2 P 2 core as well as the origin of the highly downfield 31 P NMR spectroscopic signal.},
doi = {10.1002/chem.201701054},
journal = {Chemistry - A European Journal},
number = 26,
volume = 23,
place = {United States},
year = {Wed Mar 15 00:00:00 EDT 2017},
month = {Wed Mar 15 00:00:00 EDT 2017}
}

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