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Relativistic heavy-neighbor-atom effects on NMR shifts: Concepts and trends across the periodic table
Title Relativistic heavy-neighbor-atom effects on NMR shifts: Concepts and trends across the periodic table Author Vícha Jan Co-authors Novotný Jan Komorovský Stanislav 1982 SAVANOCH - Ústav anorganickej chémie SAV ORCID Straka Michal Kaupp Martin Marek Radek Source document Chemical Reviews. Vol. 120, no. 15 (2020), p. 7065-7103 Language eng - English Country US - United States of America Document kind rozpis článkov z periodík (rbx) Citations LU, Jia - SCHEINER, Steve. Relationships between Bond Strength and Spectroscopic Quantities in H-Bonds and Related Halogen, Chalcogen, and Pnicogen Bonds. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, 2020, vol. 124, no. 38, pp. 7716-7725. Dostupné na: https://doi.org/10.1021/acs.jpca.0c05936. DITTMER, Anneke - STOYCHEV, Georgi L. - MAGANAS, Dimitrios - AUER, Alexander A. - NEESE, Frank. Computation of NMR Shielding Constants for Solids Using an Embedded Cluster Approach with DFT, Double-Hybrid DFT, and MP2. In JOURNAL OF CHEMICAL THEORY AND COMPUTATION. ISSN 1549-9618, 2020, vol. 16, no. 11, pp. 6950-6967. Dostupné na: https://doi.org/10.1021/acs.jctc.0c00067. KASHIHARA, Myuto - GORDON, Christopher P. - COPERET, Christophe. Reactivity of Substituted Benzenes toward Oxidative Addition Relates to NMR Chemical Shift of the Ipso-Carbon. In ORGANIC LETTERS. ISSN 1523-7060, 2020, vol. 22, no. 22, pp. 8910-8915. Dostupné na: https://doi.org/10.1021/acs.orglett.0c03300. RAYNAUD, Christophe - NORBERT-AGAISSE, Eliott - JAMES, Brian R. - EISENSTEIN, Odile. P-31 Chemical Shifts in Ru(II) Phosphine Complexes. A Computational Study of the Influence of the Coordination Sphere. In INORGANIC CHEMISTRY. ISSN 0020-1669, 2020, vol. 59, no. 23, pp. 17038-17048. Dostupné na: https://doi.org/10.1021/acs.inorgchem.0c02256. CASTRO, Abril C. - BALCELLS, David - REPISKY, Michal - HELGAKER, Trygve - CASCELLA, Michele. First-Principles Calculation of H-1 NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics. In INORGANIC CHEMISTRY. ISSN 0020-1669, 2020, vol. 59, no. 23, pp. 17509-17518. Dostupné na: https://doi.org/10.1021/acs.inorgchem.0c02753. SARKAR, Debotra - WEETMAN, Catherine - MUNZ, Dominik - INOUE, Shigeyoshi. Reversible Activation and Transfer of White Phosphorus by Silyl-Stannylene. In ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. ISSN 1433-7851, 2021, vol. 60, no. 7, pp. 3519-3523. Dostupné na: https://doi.org/10.1002/anie.202013423. BURSCH, Markus - GASEVIC, Thomas - STUECKRATH, Julius B. - GRIMME, Stefan. Comprehensive Benchmark Study on the Calculation of Si-29 NMR Chemical Shifts. In INORGANIC CHEMISTRY. ISSN 0020-1669, 2021, vol. 60, no. 1, pp. 272-285. Dostupné na: https://doi.org/10.1021/acs.inorgchem.0c02907. 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GORDON, Christopher P. - LAETSCH, Lukas - COPERET, Christophe. Nuclear Magnetic Resonance: A Spectroscopic Probe to Understand the Electronic Structure and Reactivity of Molecules and Materials. In JOURNAL OF PHYSICAL CHEMISTRY LETTERS. ISSN 1948-7185, 2021, vol. 12, no. 8, pp. 2072-2085. Dostupné na: https://doi.org/10.1021/acs.jpclett.0c03520. WEISS, Sebastian - WIDEMANN, Max - EICHELE, Klaus - SCHUBERT, Hartmut - WESEMANN, Lars. Low valent lead and tin hydrides in reactions with heteroallenes. In DALTON TRANSACTIONS. ISSN 1477-9226, 2021, vol. 50, no. 14, pp. 4952-4958. Dostupné na: https://doi.org/10.1039/d1dt00542a. ALKORTA, Ibon - CLARAMUNT, Rosa M. - SANZ, Dionisia - ELGUERO, Jose - HOLZER, Wolfgang. A C-13 chemical shifts study of iodopyrazoles: experimental results and relativistic and non-relativistic calculations. In STRUCTURAL CHEMISTRY. ISSN 1040-0400, 2021, vol. 32, no. 3, pp. 925-937. Dostupné na: https://doi.org/10.1007/s11224-021-01755-5. KRIVDIN, Leonid B. Computational NMR of heavy nuclei involving Ag-109, Cd-113, Sn-119, Te-125, Pt-195, Hg-199, Tl-205, and Pb-207. In RUSSIAN CHEMICAL REVIEWS. ISSN 0036-021X, 2021, vol. 90, no. 9, pp. 1166-1212. Dostupné na: https://doi.org/10.1070/RCR4976. BATISTA, Patrick R. - DUCATI, Lucas C. - AUTSCHBACH, Jochen. Solvent effect on the Pt-195 NMR properties in pyridonate-bridged Pt-III dinuclear complex derivatives investigated by ab initio molecular dynamics and localized orbital analysis. In PHYSICAL CHEMISTRY CHEMICAL PHYSICS. ISSN 1463-9076, 2021, vol. 23, no. 22, pp. 12864-12880. Dostupné na: https://doi.org/10.1039/d0cp05849a. GLENT-MADSEN, Iben - REINHOLDT, Anders - BENDIX, Jesper - SAUER, Stephan P. A. Importance of Relativistic Effects for Carbon as an NMR Reporter Nucleus in Carbide-Bridged [RuCPt] Complexes. In ORGANOMETALLICS. ISSN 0276-7333, 2021, vol. 40, no. 10, pp. 1443-1453. Dostupné na: https://doi.org/10.1021/acs.organomet.1c00079. YANG, Le - GU, Xiaojiao - LI, Bo - NIU, Kai - JIN, Peng. Small Amount Makes a Big Difference: Critical (n-1)d Valence Orbitals of Heavy Alkaline Earth Metals inside Cage Clusters. In INORGANIC CHEMISTRY. ISSN 0020-1669, 2021, vol. 60, no. 12, pp. 8621-8630. Dostupné na: https://doi.org/10.1021/acs.inorgchem.1c00606. REANT, Benjamin L. L. - BERRYMAN, Victoria E. J. - BASFORD, Annabel R. - NODARAKI, Lydia E. - WOOLES, Ashley J. - TUNA, Floriana - KALTSOYANNIS, Nikolas - MILLS, David P. - LIDDLE, Stephen T. Si-29 NMR Spectroscopy as a Probe of s- and f-Block Metal(II)-Silanide Bond Covalency. In JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. ISSN 0002-7863, 2021, vol. 143, no. 26, pp. 9813-9824. Dostupné na: https://doi.org/10.1021/jacs.1c03236. KONDRASHOVA, Svetlana A. - POLYANCEV, Fedor M. - GANUSHEVICH, Yulia S. - LATYPOV, Shamil K. DFT Approach for Predicting C-13 NMR Shifts of Atoms Directly Coordinated to Nickel. In ORGANOMETALLICS. ISSN 0276-7333, 2021, vol. 40, no. 11, pp. 1614-1625. 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Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2020 Registered in WOS Registered in SCOPUS Registered in CCC DOI 10.1021/acs.chemrev.9b00785 
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File name Access Size Downloaded Type License Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts_ Concepts and Trends Across the Periodic Table.pdf Neprístupný/archív 7 MB 2 Publisher's version rok CC IF IF Q (best) JCR Av Jour IF Perc SJR SJR Q (best) CiteScore A rok vydania rok metriky IF IF Q (best) SJR SJR Q (best) 2020 2019 52.760 Q1 20.847 Q1
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