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

Journal Article · · Chemistry - A European Journal
 [1];  [2];  [3];  [4]; ORCiD logo [4]; ORCiD logo [3]
  1. Univ. of Pennsylvania, Philadelphia, PA (United States); Program Manager, Catalysis Science Office of Basic Energy Sciences U.S. Department of Energy
  2. Vrije Univ. Brussel (VUB) (Belgium)
  3. Univ. of Pennsylvania, Philadelphia, PA (United States)
  4. ETH Zürich (Switzerland)

The first structurally characterized Group 4 transition metal P2 complex, namely [(nacnac)Ti(OAr)]2222-P2) (1), contains a rhombic, essentially planar Ti2P2 core with short bond lengths suggesting some degree of multiple bonding character between the Ti–P and P–P sites. Complex 1 is formed via reductive decarbonylation of the phosphaethynolate ion [OCP], which serves as a P atom source. Here, computational studies of 1 provide an understanding of the Ti2P2 core as well as the origin of the highly downfield 31P NMR spectroscopic signal.

Research Organization:
Univ. of Pennsylvania, Philadelphia, PA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0012486
OSTI ID:
1843645
Alternate ID(s):
OSTI ID: 1400829; OSTI ID: 1533137
Journal Information:
Chemistry - A European Journal, Journal Name: Chemistry - A European Journal Journal Issue: 26 Vol. 23; ISSN 0947-6539
Publisher:
ChemPubSoc EuropeCopyright Statement
Country of Publication:
United States
Language:
English

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