𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Solid-state 13C NMR and quantum chemical investigation of metal diene complexes

✍ Scribed by Zhiru Ma; Julio C. Facelli; Ronald J. Pugmire; Brian C. Dunn; Gregory C. Turpin; Edward M. Eyring; Richard D. Ernst

Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
246 KB
Volume
45
Category
Article
ISSN
0749-1581

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

This paper presents novel measurements and calculations of the olefinic ^13^C chemical shift tensor principal values in several metal diene complexes. The experimental values and the calculations show shifts as large as 70 ppm with respect to the values in the parent olefinic compounds. These shifts are highly anisotropic, with the largest ones observed in the less shielded principal components and the smallest ones in the most shielded principal components of the tensor. The orientations of the principal components of the tensors remain, within 10°, at their directions in ethylene and other olefinic compounds. The calculations, performed using the GIAO method and the LanDZ pseudopotential basis set, show good agreement with the experiments, and were used to establish definite evidence for the existence of a Cl‐bridge structure in the bicyclo[2.2.1]hepta‐2,5‐diene (BCHD)dichlororuthenium(II) polymer. Copyright © 2007 John Wiley & Sons, Ltd.

📜 SIMILAR VOLUMES

Solid-State 13C CP/MAS NMR Investigation
Solid-State 13C CP/MAS NMR Investigations of EDTA–Metal Complexes
✍ Todd M. Alam; Roger A. Assink 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 312 KB 👁 2 views

Solid-state 13C CP/MAS NMR spectra are reported for di †erent EDTA-metal complexes. The e †ect of metal binding on the isotropic 13C chemical shift and principal elements of the carboxyl 13C chemical shift anisotropy (CSA) tensor are discussed.

Investigation of seeds with high-resolut
Investigation of seeds with high-resolution solid-state 13C NMR
✍ Michel Bardet; Marie Françoise Foray; Jacques Bourguignon; Piotr Krajewski 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 129 KB

## Abstract Magic angle spinning (MAS) ^13^C NMR was employed to investigate seeds. By combining single pulse excitation (SP) and cross‐polarization (CP) experiments, we showed that both liquid and solid domains of plant seeds (__Arabidopsis thaliana, Lactuca sativa__ and __Pisum sativum__) can be

Solid-state NMR investigation of sodium
Solid-state NMR investigation of sodium nucleotide complexes
✍ Christopher V. Grant; Dan McElheny; Veronica Frydman; Lucio Frydman 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 350 KB

## Abstract Solid‐state NMR has been used to analyze the chemical environments of sodium sites in powdered crystalline samples of sodium nucleotide complexes. Three of the studied complexes have been previously characterized structurally by crystallography (disodium deoxycytidine‐5′‐monophosphate h

Solid state 13C NMR investigation of imp
Solid state 13C NMR investigation of impact of annealing in lyophilized glasses
✍ Suman A. Luthra; Michael J. Pikal; Marcel Utz 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 169 KB

The purpose of this study was to investigate the impact of annealing on molecular mobility in lyophilized glasses, composed of a saccharide excipient and a small concentration of aspartame as a model ''drug.'' Changes in molecular dynamics during annealing were monitored through carbon ( 13 C) T 1 a