“Unexpected”29Si NMR Chemical Shifts in Heteroatom-Substituted Silyllithium Compounds:  A Quantum-Chemical Analysis

Dominik Auer; Martin Kaupp; Carsten Strohmann

doi:10.1021/om049812k

“Unexpected”29Si NMR Chemical Shifts in Heteroatom-Substituted Silyllithium Compounds: A Quantum-Chemical Analysis

Organometallics ◽

10.1021/om049812k ◽

2004 ◽

Vol 23 (15) ◽

pp. 3647-3655 ◽

Cited By ~ 30

Author(s):

Dominik Auer ◽

Martin Kaupp ◽

Carsten Strohmann

Keyword(s):

Chemical Analysis ◽

Quantum Chemical ◽

Chemical Shifts ◽

29Si Nmr ◽

Quantum Chemical Analysis ◽

Nmr Chemical Shifts

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Geometry of α-Cyclodextrin Inclusion Complex with m-Nitrophenol Deduced from Quantum Chemical Analysis of Carbon-13 Chemical Shifts

Inclusion Phenomena in Inorganic, Organic, and Organometallic Hosts ◽

10.1007/978-94-009-3987-5_5 ◽

1987 ◽

pp. 55-58

Author(s):

Y. Inoue ◽

M. Kitagawa ◽

H. Hoshi ◽

M. Sakurai ◽

R. Chûjô

Keyword(s):

Chemical Analysis ◽

Inclusion Complex ◽

Quantum Chemical ◽

Chemical Shifts ◽

Quantum Chemical Analysis ◽

Cyclodextrin Inclusion ◽

Cyclodextrin Inclusion Complex

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Charge differences between silicon atoms in aluminosilicates and their relation to 29Si NMR chemical shifts. A quantum-chemical study

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(86)80112-9 ◽

1986 ◽

Vol 139 (1-2) ◽

pp. 113-124 ◽

Cited By ~ 12

Author(s):

Renate Wolff ◽

Reiner Radeglia ◽

Joachim Sauer

Keyword(s):

Quantum Chemical ◽

Chemical Shifts ◽

Quantum Chemical Study ◽

Chemical Study ◽

29Si Nmr ◽

Nmr Chemical Shifts

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Geometry of ?-cyclodextrin inclusion complex with m-nitrophenol deduced from quantum chemical analysis of carbon-13 chemical shifts

Journal of Inclusion Phenomena ◽

10.1007/bf00656402 ◽

1987 ◽

Vol 5 (1) ◽

pp. 55-58 ◽

Cited By ~ 7

Author(s):

Y. Inoue ◽

M. Kitagawa ◽

H. Hoshi ◽

M. Sakurai ◽

R. Ch�j�

Keyword(s):

Chemical Analysis ◽

Inclusion Complex ◽

Quantum Chemical ◽

Chemical Shifts ◽

Quantum Chemical Analysis ◽

Cyclodextrin Inclusion ◽

Cyclodextrin Inclusion Complex

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Correlation of SiOT (T = Si OR Al) angles and 29Si NMR chemical shifts in silicates and aluminosilicates. Interpretation by semi-empirical quantum-chemical considerations

Chemical Physics Letters ◽

10.1016/0009-2614(85)85048-x ◽

1985 ◽

Vol 114 (1) ◽

pp. 28-30 ◽

Cited By ~ 84

Author(s):

R. Radeglia ◽

G. Engelhardt

Keyword(s):

Quantum Chemical ◽

Chemical Shifts ◽

29Si Nmr ◽

Nmr Chemical Shifts ◽

Semi Empirical

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Quantum-chemical calculations of NMR chemical shifts of organic molecules: X. Dynamic equilibrium effects in the 29Si NMR spectra of silacycloalkanes

Russian Journal of Organic Chemistry ◽

10.1134/s1070428013060055 ◽

2013 ◽

Vol 49 (6) ◽

pp. 832-837 ◽

Cited By ~ 8

Author(s):

K. A. Chernyshev ◽

B. A. Gostevskii ◽

L. B. Krivdin

Keyword(s):

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Nmr Spectra ◽

Organic Molecules ◽

Dynamic Equilibrium ◽

Chemical Shifts ◽

29Si Nmr ◽

Nmr Chemical Shifts ◽

29Si Nmr Spectra

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Understanding Substituent Effects on29Si Chemical Shifts and Bonding in Disilenes. A Quantum Chemical Analysis†

Organometallics ◽

10.1021/om030101g ◽

2003 ◽

Vol 22 (12) ◽

pp. 2442-2449 ◽

Cited By ~ 46

Author(s):

Dominik Auer ◽

Carsten Strohmann ◽

Alexei V. Arbuznikov ◽

Martin Kaupp

Keyword(s):

Chemical Analysis ◽

Quantum Chemical ◽

Chemical Shifts ◽

Substituent Effects ◽

Quantum Chemical Analysis

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Quantum-chemical calculations of NMR chemical shifts of organic molecules: XV. Relativistic calculations of 29Si NMR chemical shifts of silanes

Russian Journal of Organic Chemistry ◽

10.1134/s1070428017050013 ◽

2017 ◽

Vol 53 (5) ◽

pp. 643-651 ◽

Cited By ~ 2

Author(s):

S. V. Fedorov ◽

Yu. Yu. Rusakov ◽

L. B. Krivdin

Keyword(s):

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Organic Molecules ◽

Chemical Shifts ◽

29Si Nmr ◽

Nmr Chemical Shifts

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A semi-empirical quantum-chemical rationalization of the correlation between SiOSi angles and 29Si NMR chemical shifts of silica polymorphs and framework aluminosilicates (zeolites)

Chemical Physics Letters ◽

10.1016/0009-2614(84)87063-3 ◽

1984 ◽

Vol 108 (3) ◽

pp. 271-274 ◽

Cited By ~ 148

Author(s):

G. Engelhardt ◽

R. Radeglia

Keyword(s):

Quantum Chemical ◽

Chemical Shifts ◽

29Si Nmr ◽

Nmr Chemical Shifts ◽

Semi Empirical

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Understanding Substituent Effects on29Si Chemical Shifts and Bonding in Disilynes. A Quantum-Chemical Analysis

Organometallics ◽

10.1021/om050499b ◽

2005 ◽

Vol 24 (26) ◽

pp. 6331-6337 ◽

Cited By ~ 17

Author(s):

Dominik Auer ◽

Martin Kaupp ◽

Carsten Strohmann

Keyword(s):

Chemical Analysis ◽

Quantum Chemical ◽

Chemical Shifts ◽

Substituent Effects ◽

Quantum Chemical Analysis

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Quantum-chemical calculations of NMR chemical shifts of organic molecules: VII. Intramolecular coordination effect in the 29Si NMR spectra of siletanes

Russian Journal of Organic Chemistry ◽

10.1134/s1070428013010077 ◽

2013 ◽

Vol 49 (1) ◽

pp. 34-41 ◽

Cited By ~ 7

Author(s):

K. A. Chernyshev ◽

B. A. Gostevskii ◽

A. I. Albanov ◽

L. B. Krivdin

Keyword(s):

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Nmr Spectra ◽

Organic Molecules ◽

Chemical Shifts ◽

29Si Nmr ◽

Intramolecular Coordination ◽

Nmr Chemical Shifts ◽

Coordination Effect ◽

29Si Nmr Spectra

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