Exploring C–F···π Interactions: Synthesis, Characterization,
and Surface Analysis of Copper β-Diketone Complexes

J 2024

Exploring C–F···π Interactions: Synthesis, Characterization, and Surface Analysis of Copper β-Diketone Complexes

MIRTAMIZDOUST, Babak; Amirhossein KARAMAD; Faeze MOJTABAZADE; Hassan HOSEIN-MONFARED; Rahman BIKAS et al.

Základní údaje

Originální název

Exploring C–F···π Interactions: Synthesis, Characterization, and Surface Analysis of Copper β-Diketone Complexes

Autoři

MIRTAMIZDOUST, Babak; Amirhossein KARAMAD; Faeze MOJTABAZADE; Hassan HOSEIN-MONFARED; Rahman BIKAS; Zdirad ŽÁK; Hadi ERFANI; Sapana JADOUN a Ajay Kumar MISHRA

Vydání

ACS Omega, American Chemical Society, 2024, 2470-1343

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10400 1.4 Chemical sciences

Stát vydavatele

Spojené státy

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 4.300

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14310/24:00138614

Organizační jednotka

Přírodovědecká fakulta

Klíčová slova anglicky

Copper; Crystals; Ligands; Oxygen; Surface interactions

Štítky

14313010, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 9. 2. 2025 19:10, Mgr. Pavla Foltynová, Ph.D.

Anotace

V originále

Synthesis and characterization of two novel copper β-diketone complexes, where halogen bonds play a pivotal role in shaping their multifaceted structural landscape, have been done in the present study. This study employs X-ray diffraction, ultraviolet–visible (UV–vis) spectroscopy, and infrared (IR) spectroscopy to investigate two copper β-diketone complexes, [Cu(L1)2(ttfa)2]·2CH3OH (1) and [Cu(L1)(dfpb)2] (2), where Httfa is 4,4,4-trifluoro-1-(thiophen-2-yl)butan-3,1-dione and Hdfpb is 4,4-difluoro-1-phenylbutane-1,3-dione. Complex 1 displays a halogen bond, which contributes to its uniqueness. The coordination sphere around the copper atoms was found to be octahedral for complex 1 and pyramid with a square base for complex 2. The study also extensively discusses the interactions present in these complexes. Hirshfeld surface analysis was employed to gain a more detailed understanding of these interactions, and the results showed that hydrogen-bond interactions contributed above 30% of the whole surface area in both complexes. Additionally, the halogen bond in complex 1 was found to contribute approximately 8% of the surface. Overall, this study provides valuable insights into the structural properties and interactions of copper β-diketone complexes, which could have potential applications in various fields.

Citovat

MIRTAMIZDOUST, Babak; Amirhossein KARAMAD; Faeze MOJTABAZADE; Hassan HOSEIN-MONFARED; Rahman BIKAS; Zdirad ŽÁK; Hadi ERFANI; Sapana JADOUN a Ajay Kumar MISHRA. Exploring C–F···π Interactions: Synthesis, Characterization, and Surface Analysis of Copper β-Diketone Complexes. ACS Omega. American Chemical Society, 2024, roč. 9, č. 5, s. 5563-5575. ISSN 2470-1343. Dostupné z: https://doi.org/10.1021/acsomega.3c07639.

@article{2470684,
   author = {Mirtamizdoust, Babak and Karamad, Amirhossein and Mojtabazade, Faeze and HoseinandMonfared, Hassan and Bikas, Rahman and Žák, Zdirad and Erfani, Hadi and Jadoun, Sapana and Mishra, Ajay Kumar},
   article_number = {5},
   doi = {https://doi.org/10.1021/acsomega.3c07639},
   keywords = {Copper; Crystals; Ligands; Oxygen; Surface interactions},
   language = {eng},
   issn = {2470-1343},
   journal = {ACS Omega},
   title = {Exploring C–F···π Interactions: Synthesis, Characterization, and Surface Analysis of Copper β-Diketone Complexes},
   url = {https://pubs.acs.org/doi/10.1021/acsomega.3c07639},
   volume = {9},
   year = {2024}
}

TY  - JOUR
ID  - 2470684
AU  - Mirtamizdoust, Babak - Karamad, Amirhossein - Mojtabazade, Faeze - Hosein-Monfared, Hassan - Bikas, Rahman - Žák, Zdirad - Erfani, Hadi - Jadoun, Sapana - Mishra, Ajay Kumar
PY  - 2024
TI  - Exploring C–F···π Interactions: Synthesis, Characterization, and Surface Analysis of Copper β-Diketone Complexes
JF  - ACS Omega
VL  - 9
IS  - 5
SP  - 5563-5575
EP  - 5563-5575
PB  - American Chemical Society
SN  - 24701343
KW  - Copper
KW  - Crystals
KW  - Ligands
KW  - Oxygen
KW  - Surface interactions
UR  - https://pubs.acs.org/doi/10.1021/acsomega.3c07639
N2  - Synthesis and characterization of two novel copper β-diketone complexes, where halogen bonds play a pivotal role in shaping their multifaceted structural landscape, have been done in the present study. This study employs X-ray diffraction, ultraviolet–visible (UV–vis) spectroscopy, and infrared (IR) spectroscopy to investigate two copper β-diketone complexes, [Cu(L1)2(ttfa)2]·2CH3OH (1) and [Cu(L1)(dfpb)2] (2), where Httfa is 4,4,4-trifluoro-1-(thiophen-2-yl)butan-3,1-dione and Hdfpb is 4,4-difluoro-1-phenylbutane-1,3-dione. Complex 1 displays a halogen bond, which contributes to its uniqueness. The coordination sphere around the copper atoms was found to be octahedral for complex 1 and pyramid with a square base for complex 2. The study also extensively discusses the interactions present in these complexes. Hirshfeld surface analysis was employed to gain a more detailed understanding of these interactions, and the results showed that hydrogen-bond interactions contributed above 30% of the whole surface area in both complexes. Additionally, the halogen bond in complex 1 was found to contribute approximately 8% of the surface. Overall, this study provides valuable insights into the structural properties and interactions of copper β-diketone complexes, which could have potential applications in various fields.
ER  -

MIRTAMIZDOUST, Babak; Amirhossein KARAMAD; Faeze MOJTABAZADE; Hassan HOSEIN-MONFARED; Rahman BIKAS; Zdirad ŽÁK; Hadi ERFANI; Sapana JADOUN a Ajay Kumar MISHRA. Exploring C–F···π Interactions: Synthesis, Characterization, and Surface Analysis of Copper β-Diketone Complexes. \textit{ACS Omega}. American Chemical Society, 2024, roč.~9, č.~5, s.~5563-5575. ISSN~2470-1343. Dostupné z: https://doi.org/10.1021/acsomega.3c07639.

Přehled o publikaci