"Molecules to Materials: Volume 2 Materials to Molecular Fragments".

      Аннотация: This book is Volume-2 on the topic of “Molecules to Materials: Materials to Molecular Fragments”. The consequences of HR PMR experimental studies on Single Crystalline Solid State resulted in the determination of the principal axes directions and principal components of proton shielding Tensor in a molecule. Significance of the results was the necessity to look into greater detail the inter molecular contribution and intra molecular contribution to proton shielding. These consisted of specific neighborhood contribution from other molecules within 100 Angstroms radius, as well as the contribution of the continuum at large from the entire span of the specimen volume and the specimen shape effects. Over the years, these bulk material consequences could be accounted for satisfactorily with classical magnetic dipole model, the advantage being that the method and this model itself could be found useful for intra molecular shielding tensor calculation. These intra molecular aspects are the considerations in this Volume -II, consists of the papers presented by this author at the Annual Sessions of the Indian Science Congress Association (Kolkata)during the period from year 2009, till 2017.

Ключевые слова: Induced Field Distribution, Magnetic Dipole Model, Induced field at a point, Intermolecular Proton shielding tensors, Intra molecular Proton Shileding tensors, Proton Shielding Calculations