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Title: Mechanical vs Electronic Strain: Oval-Shaped Alkynyl-Pt(II)-Phosphine Macrocycles

Abstract

Pyridine-terminated molecular rods and either (i) the cis-(dppp)(I)Pt(C≡C-triptycene-C≡C)Pt(I)(dppp) rod or (ii) the trans-(PEt3)2(I)Pt(C≡C-biphenyl-C≡C)Pt(I)(PEt3)2 rod assemble into macrocycles, characterized by NMR, ESI-IMS, and in two cases also single-crystal X-ray diffraction. The former form rectangles with bidentate phosphine-containing cis-coordinated Pt(II)-alkyne corners. In the latter, the preference of the Pt centers for a trans configuration overrules the preference of the triple bonds for linearity and NMR shows that they have oval structures with alternating bent rod and bent trans (C≡C)Pt(PEt3)2(C≡C) components, in agreement with density functional theory calculations.

Authors:
 [1];  [2]; ORCiD logo [2];  [3];  [4];  [5]; ORCiD logo [2]
  1. Czech Academy of Sciences, Prague (Czech Republic). Inst. of Organic Chemistry and Biochemistry
  2. Czech Academy of Sciences, Prague (Czech Republic). Inst. of Organic Chemistry and Biochemistry; Univ. of Colorado, Boulder, CO (United States)
  3. Czech Academy of Sciences, Prague (Czech Republic). Inst. of Organic Chemistry and Biochemistry; Charles Univ., Prague (Czech Republic). Faculty of Mathematics and Physics
  4. Charles Univ., Prague (Czech Republic). Faculty of Mathematics and Physics
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); European Research Council (ERC)
OSTI Identifier:
1580421
Grant/Contract Number:  
AC02-05CH11231; 227756
Resource Type:
Accepted Manuscript
Journal Name:
Organometallics
Additional Journal Information:
Journal Volume: 38; Journal Issue: 24; Journal ID: ISSN 0276-7333
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Plutnar, Jan, Givelet, Cecile, Lemouchi, Cyprien, Jaklová Dytrtová, Jana, Císařová, Ivana, Teat, Simon J., and Michl, Josef. Mechanical vs Electronic Strain: Oval-Shaped Alkynyl-Pt(II)-Phosphine Macrocycles. United States: N. p., 2019. Web. https://doi.org/10.1021/acs.organomet.9b00633.
Plutnar, Jan, Givelet, Cecile, Lemouchi, Cyprien, Jaklová Dytrtová, Jana, Císařová, Ivana, Teat, Simon J., & Michl, Josef. Mechanical vs Electronic Strain: Oval-Shaped Alkynyl-Pt(II)-Phosphine Macrocycles. United States. https://doi.org/10.1021/acs.organomet.9b00633
Plutnar, Jan, Givelet, Cecile, Lemouchi, Cyprien, Jaklová Dytrtová, Jana, Císařová, Ivana, Teat, Simon J., and Michl, Josef. Mon . "Mechanical vs Electronic Strain: Oval-Shaped Alkynyl-Pt(II)-Phosphine Macrocycles". United States. https://doi.org/10.1021/acs.organomet.9b00633. https://www.osti.gov/servlets/purl/1580421.
@article{osti_1580421,
title = {Mechanical vs Electronic Strain: Oval-Shaped Alkynyl-Pt(II)-Phosphine Macrocycles},
author = {Plutnar, Jan and Givelet, Cecile and Lemouchi, Cyprien and Jaklová Dytrtová, Jana and Císařová, Ivana and Teat, Simon J. and Michl, Josef},
abstractNote = {Pyridine-terminated molecular rods and either (i) the cis-(dppp)(I)Pt(C≡C-triptycene-C≡C)Pt(I)(dppp) rod or (ii) the trans-(PEt3)2(I)Pt(C≡C-biphenyl-C≡C)Pt(I)(PEt3)2 rod assemble into macrocycles, characterized by NMR, ESI-IMS, and in two cases also single-crystal X-ray diffraction. The former form rectangles with bidentate phosphine-containing cis-coordinated Pt(II)-alkyne corners. In the latter, the preference of the Pt centers for a trans configuration overrules the preference of the triple bonds for linearity and NMR shows that they have oval structures with alternating bent rod and bent trans (C≡C)Pt(PEt3)2(C≡C) components, in agreement with density functional theory calculations.},
doi = {10.1021/acs.organomet.9b00633},
journal = {Organometallics},
number = 24,
volume = 38,
place = {United States},
year = {2019},
month = {12}
}

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