Computational protocols for calculating 13C NMR chemical shifts
LB Krivdin - Progress in nuclear magnetic resonance spectroscopy, 2019 - Elsevier
The most recent results dealing with the computation of 13 C NMR chemical shifts in
chemistry (small molecules, saturated, unsaturated and aromatic compounds, heterocycles …
chemistry (small molecules, saturated, unsaturated and aromatic compounds, heterocycles …
Computational 1H and 13C NMR in structural and stereochemical studies
LB Krivdin - Magnetic Resonance in Chemistry, 2022 - Wiley Online Library
Present review outlines the advances and perspectives of computational 1H and 13C NMR
applied to the stereochemical studies of inorganic, organic, and bioorganic compounds …
applied to the stereochemical studies of inorganic, organic, and bioorganic compounds …
Chiral-at-metal phosphorescent square-planar Pt (II)-complexes from an achiral organometallic ligand
TR Schulte, JJ Holstein, L Krause… - Journal of the …, 2017 - ACS Publications
The synthesis and characterization of a new kind of cis-and trans-cyclometalated square-
planar platinum (II) complexes is reported. Uncharged organometallic compounds carrying …
planar platinum (II) complexes is reported. Uncharged organometallic compounds carrying …
Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches
The role of various factors (structure, solvent, and relativistic treatment) was evaluated for
square-planar 4d and 5d transition-metal complexes. The DFT method for calculating the …
square-planar 4d and 5d transition-metal complexes. The DFT method for calculating the …
Cyclometalated platinum (II) complexes simultaneously catalyze the cross-linking of polysiloxanes and function as luminophores
MV Dobrynin, EV Sokolova, MA Kinzhalov… - ACS Applied Polymer …, 2021 - ACS Publications
A family of the C, N-cyclometalated species [Pt (ppy) Cl (PPh3)],[Pt (ppy) Cl (CNCy)],[Pt
(ppy)(CNCy)(PPh3)](OTf), and [Pt (ppy)(CNCy) 2](BF4)(ppy= 2-phenylpyridinato-C 2, N; Cy …
(ppy)(CNCy)(PPh3)](OTf), and [Pt (ppy)(CNCy) 2](BF4)(ppy= 2-phenylpyridinato-C 2, N; Cy …
Modulation of luminescence properties for [cyclometalated]-Pt II (isocyanide) complexes upon co-crystallisation with halosubstituted perfluorinated arenes
Phosphorescent PtII-based cyclometalated complexes co-crystallise with bromo-and
iodosubstituted perfluorinated arenes to give 1: 1 adducts. X-FArenes in these co-crystals …
iodosubstituted perfluorinated arenes to give 1: 1 adducts. X-FArenes in these co-crystals …
Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C (sp 2)–H arylation
Q Wu, C Du, Y Huang, X Liu, Z Long, F Song… - Chemical Science, 2015 - pubs.rsc.org
Based on the well-defined five-membered aryl gold (III) complexes,[Au (tpy) X2](3a and 3b)
and [AuBr (Ph)(tpy)](7), as well as the aryl gold (III) complex [AuCl2 (Ph)(tpy)](8)(tpy= 2-(o …
and [AuBr (Ph)(tpy)](7), as well as the aryl gold (III) complex [AuCl2 (Ph)(tpy)](8)(tpy= 2-(o …
Cyclometalated Platinum(II) Complexes Bearing Bidentate O,O′-Di(alkyl)dithiophosphate Ligands: Photoluminescence and Cytotoxic Properties
M Fereidoonnezhad, B Kaboudin, T Mirzaee… - …, 2017 - ACS Publications
Mononuclear complexes [Pt (ppy)(S∧ S)](1a, S∧ S= O, O′-di (cyclohexyl) dithiophosphate
(ctp); 2a, S∧ S= O, O′-di (butyl) dithiophosphate (btp)) and [Pt (bzq)(S∧ S)](1b, S∧ S= ctp; …
(ctp); 2a, S∧ S= O, O′-di (butyl) dithiophosphate (btp)) and [Pt (bzq)(S∧ S)](1b, S∧ S= ctp; …
Computational 1H NMR: Part 2. Chemical applications
LB Krivdin - Magnetic Resonance in Chemistry, 2020 - Wiley Online Library
This is the second one of three closely interrelated reviews dealing with computation of 1H
NMR chemical shifts and 1H–1H spin–spin coupling constants prepared for Magnetic …
NMR chemical shifts and 1H–1H spin–spin coupling constants prepared for Magnetic …
Au (III) Cyclometallated Compounds with 2-Arylpyridines and Their Derivatives or Analogues: 34 Years (1989–2022) of NMR and Single Crystal X-ray Studies
L Pazderski, PA Abramov - Inorganics, 2023 - mdpi.com
A review paper on Au (III) cyclometallated compounds with 2-arylpyridines (2-
phenylpyridine, 2-benzylpyridine, 2-benzoylpyridine, 2-phenoxypyridine, 2 …
phenylpyridine, 2-benzylpyridine, 2-benzoylpyridine, 2-phenoxypyridine, 2 …