A Generalized Wreath Product Method for the Enumeration of Stereo and Position Isomers of Polysubstituted Organic Compounds
نویسنده
چکیده
Extensive expositions of the isomer enumeration methods can be found in the review Dipers of Rouvray [1, 2]. The problem of enumerating isomers essentially reduces to finding what is known as the cycle index of a permutation group [3] and then obtaining a generating function for isomers using a theorem of Polya [3]. Read [4] stated that a method is yet to be developed for the enumeration of stereo-isomers of polysubstituted organic compounds. Read [5] recently enumerated the stereoisomers of certain specific compounds like C,Hz,XY, where X and Y are attached to the end carbons. We report here a general method for the enumeration of stereo and position isomers of polysubstituted organic compounds containing any number of functional groups. The group of permutations for the enumeration of isomers at room temperature should contain the point group operations and the permutations induced by any additional internal degrees of freedom. Leonard [6, 7] enumerated the isomers of nonrigid cyclohexane molecules by including the permutations induced by a ring-flip operator in the permutation group of the rigid molecule. Davidson [8] investigated the three-fold rotors in alkanes, two-fold rotors in polyphenyls and certain higher-fold rotors in metal complexes from the standpoint
منابع مشابه
Half-Century Journey from Synthetic Organic Chemistry to Mathematical Stereochemistry through Chemoinformatics
My half-century journey started from synthetic organic chemistry. During the first stage of my journey, my interest in stereochemistry was initiated through the investigation on the participation of steric effects in reactive intermediates, cylophanes, strained heterocycles, and organic compounds for photography. In chemoinformatics as the next stage of the journey, I proposed the concept of im...
متن کاملThe Isolation of Organic Compounds using Organophilic Pervaporation Membranes
Organophilic membranes provide a method of recovering organic compounds by pervaporation, which exploits the selective transport of the organic phase. The main application is in the extraction of bio-alcohols from aqueous solution. The effect of membrane composition on performance in transporting alcohols and not water at improved rates is the focus of this review. In th...
متن کاملA generalized implicit enumeration algorithm for a class of integer nonlinear programming problems
Presented here is a generalization of the implicit enumeration algorithm that can be applied when the objec-tive function is being maximized and can be rewritten as the difference of two non-decreasing functions. Also developed is a computational algorithm, named linear speedup, to use whatever explicit linear constraints are present to speedup the search for a solution. The method is easy to u...
متن کاملRestricted cascade and wreath products of fuzzy finite switchboard state machines
A finite switchboard state machine is a specialized finite state machine. It is built by binding the concepts of switching state machines and commutative state machines. The main purpose of this paper is to give a specific algorithm for fuzzy finite switchboard state machine and also, investigates the concepts of switching relation, covering, restricted cascade products and wreath products of f...
متن کاملStereospecific Biotransformation of (±) Phenylethyl Propionate by Cell Cultures of Peganum harmala L.
The enzymatic potential of the cultured plant cells can be employed for bioconversion purposes. Plant enzymes are able to catalyze regio- and stereo-specific reactions, and therefore can be applied for the production of desired substances. The biotransformation of foreign substrates with suspension cells of Peganum harmala was tested with (±) phenylethyl propionate. The callus cultures of Pegan...
متن کامل