77Se shielding tensors of diphenyl diselenide, comparison of the results from CP/MAS NMR spectroscopy and IGLO calculations

被引：0

作者：

Gert Balzer

H. Duddeck

U. Fleischer

Florian Röhr

机构：

[1] Fachbereich für Chemie,

[2] Universität Hannover,undefined

[3] Schneiderberg 1B,undefined

[4] D-30167 Hannover,undefined

[5] Germany,undefined

[6] Lehrstuhl für Theoretische Chemie,undefined

[7] Ruhr-Universität Bochum,undefined

[8] D-44780 Bochum,undefined

[9] Germany,undefined

来源：

Fresenius' Journal of Analytical Chemistry | 1997年 / 357卷

关键词：

Spectroscopy; Phenyl; Selenium; Chemical Shift; Phenyl Ring;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

The cross-polarization/magic-angle-spinning (CP/MAS) 77SeNMR experiment of Ph-Se-Se-Ph affords two signal series with isotropic chemical shifts at δiso = 425 and 350. IGLO calculations allow to assign the 77Se signals and to predict the orientation of the shielding tensors. The different chemical shifts can be explained by different torsion angles Se-Se-Cipso-Cortho which produce different β effects of the phenyl rings upon the respective next but one selenium atom.

引用

页码：473 / 476

页数：3

共 27 条

[1] Se-77 shielding tensors of diphenyl diselenide, comparison of the results from CP/MAS NMR spectroscopy and IGLO calculations
Balzar, G
Duddeck, H
Fleischer, U
Rohr, F
FRESENIUS JOURNAL OF ANALYTICAL CHEMISTRY, 1997, 357 (05): : 473 - 476
[2] Experimental and theoretical 31P and 77Se nuclear magnetic shielding tensors for bis(dineopentoxyphosphorothioyl) diselenide
Grossmann, G
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SOLID STATE NUCLEAR MAGNETIC RESONANCE, 2000, 17 (1-4) : 22 - 38
[3] On the factors to determine 77Se NMR chemical shifts of organic selenium compounds:: Application of GIAO magnetic shielding tensor to the 77Se NMR spectroscopy
Nakanishi, W
Hayashi, S
CHEMISTRY LETTERS, 1998, (06) : 523 - 524
[4] Structure, Connectivity, and Configurational Entropy of GexSe100-x Glasses: Results from 77Se MAS NMR Spectroscopy
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Sen, S.
Aitken, B. G.
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[5] Direct Visualization of Disulfide Bonds through Diselenide Proxies Using 77Se NMR Spectroscopy
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ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2009, 48 (49) : 9312 - 9314
[6] CP/MAS SE-77 NMR IN SOLIDS - CHEMICAL-SHIFT TENSORS AND ISOTROPIC SHIFTS
COLLINS, MJ
RATCLIFFE, CI
RIPMEESTER, JA
JOURNAL OF MAGNETIC RESONANCE, 1986, 68 (01) : 172 - 179
[7] 13C-77Se and 77Se-77Se spin-spin coupling tensors in carbon diselenide:: NMR experiments and ZORA DFT calculations
Jokisaari, J
Autschbach, J
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2003, 5 (20) : 4551 - 4555
[8] Size- and Site-Dependent Reconstruction in CdSe QDs Evidenced by 77Se{1H} CP-MAS NMR Spectroscopy
Loyingood, Derek D.
Achey, Randall
Paravastu, Anant K.
Strouse, Geoffrey F.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2010, 132 (10) : 3344 - 3354
[9] Selenium Chain Length Distribution in GexSe100-x Glasses: Insights from 77Se NMR Spectroscopy and Quantum Chemical Calculations
Kaseman, Derrick C.
Oliveira, Karina Moreira
Palazzo, Teresa
Sen, Sabyasachi
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 120 (19): : 4513 - 4521
[10] Pronounced stereospecificity of 1H, 13C, 15N and 77Se shielding constants in the selenophenyl oximes as shown by NMR spectroscopy and GIAO calculations
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Ushakov, Igor A.
Schmidt, Elena Yu.
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MAGNETIC RESONANCE IN CHEMISTRY, 2009, 47 (10) : 879 - 884

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