Trinuclear and Cyclometallated Organometallic Dinuclear Pt-Pyrazolato Complexes: A Combined Experimental and Theoretical Study
نویسندگان
چکیده
Two differently substituted pyrazole ligands have been investigated with regard to the topology of their Pt complexes: upon deprotonation, two mononuclear 1:2 PtII-pyrazole complexes—one sterically unhindered 4-Me-pzH and one bulky 3,5-tBu-pzH (pzH = pyrazole)—yield corresponding PtII-pyrazolato species; former a triangular, trinuclear metallacycle (1), latter dinuclear, half-lantern species (2) formed via unprecedented cyclometallation butyl group. Stoichiometric oxidation colorless PtII2 complex produces deep-blue, metal–metal bonded PtIII2 analog (3) rarely encountered unsymmetrical coordination across Pt-Pt bond. All three complexes characterized by single crystal X-ray structure determination, 1H-NMR, IR, UV-vis-NIR spectroscopic methods. The XPS spectra are also reported. Density functional theory calculations were carried out investigate electronic structure, properties, chemical bonding new complexes. calculated natural population analysis charges Wiberg indices indicate weak σ-interaction in case 2 formal bond 3.
منابع مشابه
Unprecedented ferromagnetic dipolar interaction in a dinuclear holmium(III) complex: a combined experimental and theoretical study.
A ferromagnetic intramolecular dipolar interaction is observed and verified by both experimental studies and ab initio calculations on a dinuclear holmium(III) complex [Ho2(H2cht)2Cl4(H2O)(MeCN)]·MeCN.
متن کاملthe study of practical and theoretical foundation of credit risk and its coverage
پس از بررسی هر کدام از فاکتورهای نوع صنعت, نوع ضمانت نامه, نرخ بهره , نرخ تورم, ریسک اعتباری کشورها, کارمزد, ریکاوری, gdp, پوشش و وثیقه بر ریسک اعتباری صندوق ضمانت صادرات ایران مشخص گردید که همه فاکتورها به استثنای ریسک اعتباری کشورها و کارمزد بقیه فاکتورها رابطه معناداری با ریسک اعتباری دارند در ضمن نرخ بهره , نرخ تورم, ریکاوری, و نوع صنعت و ریسک کشورها اثر عکس روی ریسک اعتباری داردو پوشش, وثی...
15 صفحه اولA combined experimental and theoretical study
In this Letter the interaction of Li atoms with terrace sites of MgO(0 0 1) surfaces is characterized by combining EPR spectroscopy with theoretical calculations. The Li atoms adsorbed to MgO terrace sites show a reduction of the isotropic hyperfine coupling constant by approximately 50% with respect to Li atoms in the gas phase. In combination with theoretical calculations it can be shown that...
متن کاملInfluence of the bridging ligand on the substitution behaviour of dinuclear Pt(II) complexes. An experimental and theoretical approach.
A series of dinuclear Pt(II) complexes of the type [Pt2(N,N,N',N'-tetrakis(2-pyridylmethyl)diamine(H2O)2]4+ were synthesized. Acid-base titrations, and concentration and temperature dependent stopped-flow measurements of the reaction with chloride were performed to study the thermodynamic and kinetic behaviour of the dinuclear bridged complexes. The results indicate that there is a clear intera...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Chemistry
سال: 2023
ISSN: ['2624-8549']
DOI: https://doi.org/10.3390/chemistry5010016