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

Plutnar, Jan; Givelet, Cecile; Lemouchi, Cyprien; Jaklová Dytrtová, Jana; Císařová, Ivana; Teat, Simon J.; Michl, Josef

doi:10.1021/acs.organomet.9b00633

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

Journal Article · Mon Dec 02 00:00:00 EST 2019 · Organometallics

DOI:https://doi.org/10.1021/acs.organomet.9b00633· OSTI ID:1580421

Plutnar, Jan ^[1]; Givelet, Cecile ^[2]; ^[2]; Jaklová Dytrtová, Jana ^[3]; Císařová, Ivana ^[4]; Teat, Simon J. ^[5]; ^[2]

Czech Academy of Sciences, Prague (Czech Republic). Inst. of Organic Chemistry and Biochemistry
Czech Academy of Sciences, Prague (Czech Republic). Inst. of Organic Chemistry and Biochemistry; Univ. of Colorado, Boulder, CO (United States)
Czech Academy of Sciences, Prague (Czech Republic). Inst. of Organic Chemistry and Biochemistry; Charles Univ., Prague (Czech Republic). Faculty of Mathematics and Physics
Charles Univ., Prague (Czech Republic). Faculty of Mathematics and Physics
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)

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.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: European Research Council (ERC); National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1580421

Journal Information:: Organometallics, Journal Name: Organometallics Journal Issue: 24 Vol. 38; ISSN 0276-7333

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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CCDC 1950566: Experimental Crystal Structure Determination Jan, Plutnar,; Cecile, Givelet,; Cyprien, Lemouchi, https://doi.org/10.5517/ccdc.csd.cc23gqht The current record is supplemented by this dataset	dataset	January 2019
CCDC 1953719: Experimental Crystal Structure Determination Jan, Plutnar,; Cecile, Givelet,; Cyprien, Lemouchi, https://doi.org/10.5517/ccdc.csd.cc23l06y The current record is supplemented by this dataset	dataset	January 2019
CCDC 1953720: Experimental Crystal Structure Determination Jan, Plutnar,; Cecile, Givelet,; Cyprien, Lemouchi, https://doi.org/10.5517/ccdc.csd.cc23l07z The current record is supplemented by this dataset	dataset	January 2019
CCDC 1953984: Experimental Crystal Structure Determination Jan, Plutnar,; Cecile, Givelet,; Cyprien, Lemouchi, https://doi.org/10.5517/ccdc.csd.cc23l8rr The current record is supplemented by this dataset	dataset	January 2019

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

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