Multiple quantum NMR study of correlation of two methyl groups

نویسنده

  • J.
چکیده

Molecules which have rotating groups may show coupled motions. As an example, two adjacent methyl groups may exhibit some degree of correlated motion as two wheels in gear. 1 The spectra obtained by traditional single quantum NMR in oriented molecules may sometimes be complicated and difficult to analyze. However, the techniques of multiple quantum (MQ) NMR spectroscopy can yield analyzable spectra26 and have been used to study conformation 1 and correlated relaxation. 8-11 In this Communication, we would like to report the first preliminary and illustrative results on the study of correlation of two methyl groups by multiple quantum (MQ) NMR. We show that the high n-quantum spectra distinguish simp ly between the cases of uncorrelated motion (independent rotation) and correlated motion (geared rotation). As an example we present results on the system to partially oriented 2, 3-dimethylmaleic anhydride oriented in a liquid crystal solvent.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

NMR and vibrational spectra of 2-methoxycarbonyl-7-methyl-1,3-thiazino[3,2- b][1,2,4]triazine-4,8-dione: a joint of experimental and DFT

The IR and NMR spectra were coupled with quantum chemical calculations in DFT approach usingthe hybrid B3LYP exchange-correlation functional to confirm the structure of 2-methoxycarbonyl-7-methyl-1,3-thiazino[3,2-b][1,2,4]triazine-4,8-dione 2d.

متن کامل

SQUID-NMR study of methyl quantum tunneling in a series of carboxylic acids

Quantum tunneling frequencies of methyl groups at low temperature can be measured directly by low-field nuclear magnetic resonance (NMR) using our d&QUID (superconducting quantum interference device) spectrometer. From NMR spectra recorded in magnetic fields below 20 mT, tunneling frequencies between I40 and 250 kHz were measured for a homologous series of carboxylic acids at 4.2 K. For solids ...

متن کامل

Investigation of Fullerene effect on reactivity of 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid with NMR parameters

In this research at the first 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid  drug and its fullerene derivative were optimized. NMR calculations for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. Different parameters such as energy levels, the amount of Chemical Shift in different atoms, the amount of HOMO/LUMO, chemical potential (µ ), chemical hardness (η)...

متن کامل

Theoretical investigation of Malva sylvestris L. in point of Nano Bio Technology

Over the past decade, the chemical behavior of flavonoids as antioxidants has become the subject ofintense experimental research. Plants represent a main source of natural antioxidants that might serveas leads for the development of novel drugs. Malva sylvestris L. known to have various medicinalproperties since several decade ago, were evaluated for their antioxidant compounds ,Most of thesebi...

متن کامل

The use of a selective saturation pulse to suppress t1 noise in two-dimensional (1)H fast magic angle spinning solid-state NMR spectroscopy.

A selective saturation pulse at fast magic angle spinning (MAS) frequencies (60+kHz) suppresses t1 noise in the indirect dimension of two-dimensional (1)H MAS NMR spectra. The method is applied to a synthetic nucleoside with an intense methyl (1)H signal due to triisopropylsilyl (TIPS) protecting groups. Enhanced performance in terms of suppressing the methyl signal while minimising the loss of...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2002