Relativistic heavy atom effect on 13
C NMR chemical shifts initiated by adjacent multiple chalcogens

Yu.Yu. Rusakov; I.L. Rusakova

doi:10.1002/mrc.4720

Relativistic heavy atom effect on 13 C NMR chemical shifts initiated by adjacent multiple chalcogens

Magnetic Resonance in Chemistry ◽

10.1002/mrc.4720 ◽

2018 ◽

Vol 56 (8) ◽

pp. 716-726 ◽

Cited By ~ 7

Author(s):

Yu.Yu. Rusakov ◽

I.L. Rusakova

Keyword(s):

Chemical Shifts ◽

Heavy Atom ◽

Heavy Atom Effect ◽

Nmr Chemical Shifts ◽

Atom Effect ◽

C Nmr

On the significant relativistic heavy atom effect on 13C NMR chemical shifts of β- and γ-carbons in seleno- and telluroketones

Molecular Physics ◽

10.1080/00268976.2017.1350292 ◽

2017 ◽

Vol 115 (24) ◽

pp. 3117-3127 ◽

Cited By ~ 10

Author(s):

Yuriy Yu. Rusakov ◽

Irina L. Rusakova ◽

Leonid B. Krivdin

Keyword(s):

13C Nmr ◽

Chemical Shifts ◽

Heavy Atom ◽

Heavy Atom Effect ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts ◽

Atom Effect

Long-range relativistic heavy atom effect on 1 H NMR chemical shifts of selenium- and tellurium-containing compounds

International Journal of Quantum Chemistry ◽

10.1002/qua.25809 ◽

2018 ◽

Vol 119 (3) ◽

pp. e25809 ◽

Cited By ~ 7

Author(s):

Yuriy Yu. Rusakov ◽

Irina L. Rusakova

Keyword(s):

Long Range ◽

Chemical Shifts ◽

Heavy Atom ◽

Heavy Atom Effect ◽

Nmr Chemical Shifts ◽

H Nmr ◽

Atom Effect

Relativistic heavy atom effect on the 31 P NMR parameters of phosphine chalcogenides. Part 1. Chemical shifts

Magnetic Resonance in Chemistry ◽

10.1002/mrc.4752 ◽

2018 ◽

Vol 56 (11) ◽

pp. 1061-1073 ◽

Cited By ~ 8

Author(s):

Yury Yu Rusakov ◽

Irina L. Rusakova ◽

Leonid B. Krivdin

Keyword(s):

Chemical Shifts ◽

Heavy Atom ◽

Heavy Atom Effect ◽

Nmr Parameters ◽

Atom Effect ◽

Phosphine Chalcogenides

Study on the Heavy Atom Effect on 13C NMR Spectroscopy

Daxue Huaxue ◽

10.3866/pku.dxhx20160332 ◽

2016 ◽

Vol 31 (3) ◽

pp. 32-36

Author(s):

Xu-Dong LIU ◽

◽

Hui-Li FAN ◽

Jun-Ping XIAO

Keyword(s):

Nmr Spectroscopy ◽

Heavy Atom ◽

Heavy Atom Effect ◽

Atom Effect ◽

C Nmr

closo-Halogenohydrohexaborate, II 11B-NMR-Spektren der closo-Halogenohydrohexaborate XnB6H6-n2-, n = 0-6; X = Cl, Br, I / closo-Halogenohydrohexaborate, II 11B NMR Spectra of the closo-Halogenohydrohexaborates XnB6H6-n2-, n = 0-6; X = Cl, Br, I

Zeitschrift für Naturforschung B ◽

10.1515/znb-1987-0307 ◽

1987 ◽

Vol 42 (3) ◽

pp. 287-292 ◽

Cited By ~ 9

Author(s):

J. Fritze ◽

W. Preetz ◽

H. C. Marsmann

Keyword(s):

Nmr Spectra ◽

Chemical Shifts ◽

Heavy Atom ◽

Heavy Atom Effect ◽

H Nmr ◽

Complete Series ◽

11B Nmr ◽

Characteristic Features ◽

Atom Effect

The point symmetries of the halogenohydrohexaborates within the nearly complete series XnB6H6-n2-, X = Cl, Br, I; n = 1-5, are determined from the 11B and 11B{1H} NMR spectra, which show characteristic features for homologous isostructural compounds related to the electronegativity of the substituents. The chemical shifts are mainly influenced by -I, +M, and in the case of X = I by the heavy atom effect. Along with a strong antipodal effect a slight vicinal influence between neighbours in the B6 cage is observed, increasing with the number of substituted atoms

Benchmark density functional theory calculations of 13 C NMR chemical shifts of the natural antimalarial compounds with a new basis set 3z‐S

International Journal of Quantum Chemistry ◽

10.1002/qua.26639 ◽

2021 ◽

Author(s):

Valentin A. Semenov ◽

Leonid B. Krivdin

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chemical Shifts ◽

Density Functional Theory Calculations ◽

Basis Set ◽

Functional Theory ◽

Nmr Chemical Shifts ◽

C Nmr ◽

Antimalarial Compounds

Achieving high singlet-oxygen generation by applying the heavy-atom effect to thermally activated delayed fluorescent materials

Chemical Communications ◽

10.1039/d0cc08323b ◽

2021 ◽

Author(s):

Ya-Fang Xiao ◽

Jia-Xiong Chen ◽

Wen-Cheng Chen ◽

Xiuli Zheng ◽

Chen Cao ◽

...

Keyword(s):

Singlet Oxygen ◽

Heavy Atom ◽

Synergetic Effect ◽

Heavy Atom Effect ◽

Oxygen Generation ◽

Thermally Activated ◽

Singlet Oxygen Generation ◽

Fluorescent Materials ◽

Atom Effect

Applying the heavy-atom effect to TADF photosensitizers achieves ultra-high 1O2 generation (ФΔ = 0.91) by the synergetic effect of small ΔEST and considerable SOC.

Enhancement of Reverse Intersystem Crossing in Charge‐Transfer Molecule through Internal Heavy Atom Effect

Advanced Functional Materials ◽

10.1002/adfm.202104646 ◽

2021 ◽

pp. 2104646

Author(s):

Hyung Suk Kim ◽

Ja Yeon Lee ◽

Seongjun Shin ◽

Wonkyo Jeong ◽

Sang Hoon Lee ◽

...

Keyword(s):

Charge Transfer ◽

Heavy Atom ◽

Intersystem Crossing ◽

Heavy Atom Effect ◽

Atom Effect

ChemInform Abstract: HEAVY-ATOM EFFECT IN PHOTOISOMERIZATION OF 4-PYRONES AND 4-PYRIDONES

Chemischer Informationsdienst ◽

10.1002/chin.197842232 ◽

1978 ◽

Vol 9 (42) ◽

Author(s):

N. ISHIBE ◽

S. YUTAKA

Keyword(s):

Heavy Atom ◽

Heavy Atom Effect ◽

Atom Effect

1,2,5-Chalcogenadiazole-Annulated Tripyrazinoporphyrazines: Synthesis, Spectral Characteristics, and Influence of the Heavy Atom Effect on Their Photophysical Properties

European Journal of Organic Chemistry ◽

10.1002/ejoc.201403329 ◽

2014 ◽

Vol 2015 (3) ◽

pp. 596-604 ◽

Cited By ~ 17

Author(s):

Jan Svec ◽

Petr Zimcik ◽

Lucie Novakova ◽

Oleg A. Rakitin ◽

Stanislav A. Amelichev ◽

...

Keyword(s):

Photophysical Properties ◽

Heavy Atom ◽

Spectral Characteristics ◽

Heavy Atom Effect ◽

Atom Effect