Conformational Dynamics of 5,11,17,23-Tetra-p-tert-butyl-25,27-di(N,N- diethylaminocarbonyl)methoxy-26,28-dimethoxycalix[4]arene and Its Kinetics and Mechanisms of the Cesium Cation Complexation in Solution Studied by1H,13C, and133Cs NMR Spectroscopy

1999 ◽  
Vol 103 (46) ◽  
pp. 9204-9210 ◽  
Author(s):  
Urs C. Meier ◽  
Christian Detellier
Keyword(s):  
Nmr Spectroscopy ◽  
Conformational Dynamics ◽  
Cation Complexation ◽  
Tert Butyl ◽  
Cesium Cation

scholarly journals Ambient-Temperature Synthesis of (E)-N-(3-(tert-Butyl)-1-methyl-1H-pyrazol-5-yl)-1-(pyridin-2-yl)methanimine

Molbank ◽  
10.3390/m1250 ◽  
2021 ◽  
Vol 2021 (3) ◽  
pp. M1250
Author(s):  
Diana Becerra ◽  
Justo Cobo ◽  
Juan-Carlos Castillo
Keyword(s):  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Ambient Temperature ◽  
Magnesium Sulfate ◽  
Elemental Analysis ◽  
Condensation Reaction ◽  
2D Nmr ◽  
2D Nmr Spectroscopy ◽  
Temperature Synthesis ◽  
Tert Butyl

We report the ambient-temperature synthesis of novel (E)-N-(3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl)-1-(pyridin-2-yl)methanamine 3 in 81% yield by a condensation reaction between 3-(tert-butyl)-1-methyl-1H-pyrazol-5-amine 1 and 2-pyridinecarboxaldehyde 2 in methanol using magnesium sulfate as a drying agent. The N-pyrazolyl imine 3 was full characterized by IR, 1D, and 2D NMR spectroscopy, mass spectrometry, and elemental analysis.

The Chlorination of Di-tert-butyl-2-naphthol+

1984 ◽  
Vol 39 (10) ◽  
pp. 1427-1432
Author(s):  
Edgar Streich ◽  
Anton Rieker
Keyword(s):  
Nmr Spectroscopy ◽  
Tert Butyl ◽  
Chlorine Substitution ◽  
C Nmr

Chlorination of the di-tert-butylation product of 2-naphthol leads to 3,6-di-tert-butyl-1,1-dichloro- l,2-dihydronaphthalen-2-one (4a) instead of 1,6-di-tert-butyl-1,3-dichloro-1,2-dihydronaphthalen-2-one (2) as reported [2], The structural proof was mainly offered by 13C NMR spectroscopy. The influence of annelation and chlorine substitution in 1,2-dihydronaphthalen-2-ones on δ13c=o is discussed, which is of importance for the use of δ13c=o for a general discrimination between ortho- and para-quinolide structures.

Structure of 2-lithiophenyl tert-butyl thioether in solution and in the solid state. Detection of agostic lithium-hydrogen interactions by NMR spectroscopy

1988 ◽  
Vol 7 (2) ◽  
pp. 552-555 ◽  
Author(s):  
Walter. Bauer ◽  
P. A. A. Klusener ◽  
Sjoerd. Harder ◽  
J. A. Kanters ◽  
A. J. M. Duisenberg ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Tert Butyl ◽  
State Detection

Structural Variations in Tetrasilver(I) Complexes of Pyrazolate-bridged Compartmental N-Heterocyclic Carbene Ligands

2009 ◽  
Vol 64 (11-12) ◽  
pp. 1542-s1554 ◽  
Author(s):  
Maria Georgiou ◽  
Simone Wöckel ◽  
Vera Konstanzer ◽  
Sebastian Dechert ◽  
Michael John ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Nmr Spectroscopy ◽  
Carbene Ligands ◽  
Structural Variations ◽  
X Ray ◽  
Face To Face ◽  
Tert Butyl ◽  
X Ray Crystallography

A set of pyrazole-bridged bis(imidazolium) compounds [H3L1]X2 - [H3 L4]X2 (L1 = 3,5-bis[1-(tert-butyl)imidazolium-1-ylmethyl]-1H-pyrazole; L2 = 3,5-bis[1-(tert-butyl)imidazolium- 1-ylmethyl]-4-phenyl-1H-pyrazole; L3 = 3,5-bis[1-(1-adamantyl)imidazolium-1-ylmethyl]-1Hpyrazole; L4 = 3,5-bis[1-(1-adamantyl)imidazolium-1-ylmethyl]-4-phenyl-1H-pyrazole; X = Cl−, BF4 − or PF6 −) has been prepared, and three compounds have been characterized by X-ray crystallography. The unique [H3L4][H2L4](PF6)3 features a dimeric face-to-face arrangement of two molecules due to the involvement of both the pyrazole-NH and the imidazolium C2H in hydrogen bonding. [H3L1]X2 - [H3L4]X2 serve as precursors for silver(I) complexes with compartmental pyrazolate-bridged bis(NHC) ligands. The complexes have been readily prepared by the Ag2O route and feature either the known [(L1−4)2Ag4]2+ or the new [(H2L1)4Ag4]8+ motif, depending on the solvent for the reaction (MeCN or acetone). [(H2L1)4Ag4](PF6)8 contains a central (pzAg)4 ring with pendant imidazolium side arms. Upon further reaction with Ag2O in MeCN it was found to undergo transformation to the corresponding [(L1)2Ag4](PF6)2. All complexes have been thoroughly studied by NMR spectroscopy in solution, and preliminary luminescence data of [(H2L1)4Ag4](PF6)8 have been recorded

Microstructure Study of Poly(tert-butyl acrylate) by13C NMR Spectroscopy

2007 ◽  
Vol 12 (6) ◽  
pp. 431-443 ◽  
Author(s):  
Piotr Bujak ◽  
Norbert Henzel ◽  
Marek Matlengiewicz
Keyword(s):  
Nmr Spectroscopy ◽  
Butyl Acrylate ◽  
Tert Butyl

scholarly journals Fast and Robust 2D Inverse Laplace Transformation of Single-Molecule Fluorescence Lifetime Data

2021 ◽  
Author(s):  
Saurabh Talele ◽  
John T. King
Keyword(s):  
Nmr Spectroscopy ◽  
Fluorescence Spectroscopy ◽  
Single Molecule ◽  
Fluorescence Lifetime ◽  
Conformational Dynamics ◽  
Correlation Spectroscopy ◽  
Great Promise ◽  
Biological Macromolecules ◽  
Single Molecule Fluorescence ◽  
Laplace Transformations

AbstractFluorescence spectroscopy at the single-molecule scale has been indispensable for studying conformational dynamics and rare states of biological macromolecules. Single-molecule 2D-fluorescence lifetime correlation spectroscopy (sm-2D-FLCS) is an emerging technique that holds great promise for the study of protein and nucleic acid dynamics as it 1) resolves conformational dynamics using a single chromophore, 2) measures forward and reverse transitions independently, and 3) has a dynamic window ranging from microseconds to seconds. However, the calculation of a 2D fluorescence relaxation spectrum requires an inverse Laplace transition (ILT), which is an ill-conditioned inversion that must be estimated numerically through a regularized minimization. The current methods for performing ILTs of fluorescence relaxation can be computationally inefficient, sensitive to noise corruption, and difficult to implement. Here, we adopt an approach developed for NMR spectroscopy (T1-T2 relaxometry) to perform 1D and 2D-ILTs on single-molecule fluorescence spectroscopy data using singular-valued decomposition and Tikhonov regularization. This approach provides fast, robust, and easy to implement Laplace inversions of single-molecule fluorescence data.Significance StatementInverse Laplace transformations are a powerful approach for analyzing relaxation data. The inversion computes a relaxation rate spectrum from experimentally measured temporal relaxation, circumventing the need to choose appropriate fitting functions. They are routinely performed in NMR spectroscopy and are becoming increasing used in single-molecule fluorescence experiments. However, as Laplace inversions are ill-conditioned transformations, they must be estimated from regularization algorithms that are often computationally costly and difficult to implement. In this work, we adopt an algorithm first developed for NMR relaxometry to provide fast, robust, and easy to implement 1D and 2D inverse Laplace transformations on single-molecule fluorescence data.

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