Pople Notation
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Pople Notation
The Pople notation is named after the Nobel laureate John Pople and is a simple method of presenting second-order spin coupling systems in NMR. The notation labels each (NMR active) nucleus with a letter of the alphabet. The difference in chemical shift, δ, relative to the J-coupling between nuclei mirrors the separation of the letter labels in the Latin alphabet The Latin alphabet or Roman alphabet is the collection of letters originally used by the ancient Romans to write the Latin language. Largely unaltered with the exception of extensions (such as diacritics), it used to write English and the .... The letters used tend to be limited to A,B,M,N,X,Y. For example, AB indicates two nuclei which have similar chemical shifts (Δδ similar to or smaller than J), whereas AX indicates two which lie further apart on the spectrum (Δδ significantly larger than J). A2B would similarly indicate a spin system containing two equivalent nuclei (A) and a third, inequivalent one ...
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John Pople
Sir John Anthony Pople (31 October 1925 – 15 March 2004) was a British theoretical chemist who was awarded the Nobel Prize in Chemistry with Walter Kohn in 1998 for his development of computational methods in quantum chemistry. Early life and education Pople was born in Burnham-on-Sea, Somerset, and attended the Bristol Grammar School. He won a scholarship to Trinity College, Cambridge, in 1943. He received his Bachelor of Arts degree in 1946. Between 1945 and 1947 he worked at the Bristol Aeroplane Company. He then returned to the University of Cambridge and was awarded his PhD in mathematics in 1951 on lone pair electrons. Career After obtaining his PhD, he was a research fellow at Trinity College, Cambridge and then from 1954 a lecturer in the mathematics faculty at Cambridge. In 1958, he moved to the National Physical Laboratory, near London as head of the new basics physics division. He moved to the United States of America in 1964, where he lived the rest of h ...
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Chemical Shift
In nuclear magnetic resonance (NMR) spectroscopy, the chemical shift is the resonant frequency of an atomic nucleus relative to a standard in a magnetic field. Often the position and number of chemical shifts are diagnostic of the structure of a molecule. Chemical shifts are also used to describe signals in other forms of spectroscopy such as photoemission spectroscopy. Some atomic nuclei possess a magnetic moment (nuclear spin), which gives rise to different energy levels and resonance frequencies in a magnetic field. The total magnetic field experienced by a nucleus includes local magnetic fields induced by currents of electrons in the molecular orbitals (note that electrons have a magnetic moment themselves). The electron distribution of the same type of nucleus (e.g. ) usually varies according to the local geometry (binding partners, bond lengths, angles between bonds, and so on), and with it the local magnetic field at each nucleus. This is reflected in the spin energy ...
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J-coupling
In nuclear chemistry and nuclear physics, ''J''-couplings (also called spin-spin coupling or indirect dipole–dipole coupling) are mediated through chemical bonds connecting two spins. It is an indirect interaction between two nuclear spins that arises from hyperfine interactions between the nuclei and local electrons. In NMR spectroscopy, ''J''-coupling contains information about relative bond distances and angles. Most importantly, ''J''-coupling provides information on the connectivity of chemical bonds. It is responsible for the often complex splitting of resonance lines in the NMR spectra of fairly simple molecules. ''J''-coupling is a frequency ''difference'' that is not affected by the strength of the magnetic field, so is always stated in Hz. Vector model and manifestations for chemical structure assignments The origin of ''J''-coupling can be visualized by a vector model for a simple molecule such as hydrogen fluoride (HF). In HF, the two nuclei have spin . Four states ...
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Latin Alphabet
The Latin alphabet or Roman alphabet is the collection of letters originally used by the ancient Romans to write the Latin language. Largely unaltered with the exception of extensions (such as diacritics), it used to write English and the other modern European languages. With modifications, it is also used for other alphabets, such as the Vietnamese alphabet. Its modern repertoire is standardised as the ISO basic Latin alphabet. Etymology The term ''Latin alphabet'' may refer to either the alphabet used to write Latin (as described in this article) or other alphabets based on the Latin script, which is the basic set of letters common to the various alphabets descended from the classical Latin alphabet, such as the English alphabet. These Latin-script alphabets may discard letters, like the Rotokas alphabet, or add new letters, like the Danish and Norwegian alphabets. Letter shapes have evolved over the centuries, including the development in Medieval Latin of lower-c ...
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