structural relationship between randić indices, adjacency, distance matrixes and molar absorption coefficient of linear conjugated polyene compounds

نویسندگان

avat (arman) taherpour

fatemeh shafiee

چکیده

one of the useful indices in molecular topology is randić index. the alternative double bonds andconjugation in the polyene compounds are one of the main properties in these compounds. someof the molecular orbital and structural properties refer to this specialty, such as: molar absorptioncoefficient (εmax) , electrical conductivity and difference energy level of the homo and lumoorbitals, etc. here, the relationship of the structural topologies such as the randić indices,adjacency and distance matrixes to molar absorption coefficient (εmax) of the linear conjugatedpolyenes was represented. for calculation the εmax of the compounds could use the fiser-kuhnrule. the interesting results of concerning amoung εmax and the above indices are presented.

برای دانلود باید عضویت طلایی داشته باشید

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

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Structural Relationship Between Randić Indices, Adjacency, Distance Matrixes and Molar Absorption Coefficient of Linear Conjugated Polyene Compounds

One of the useful indices in molecular topology is Randić index. The alternative double bonds andconjugation in the polyene compounds are one of the main properties in these compounds. Someof the molecular orbital and structural properties refer to this specialty, such as: molar absorptioncoefficient (εmax) , electrical conductivity and difference energy level of the HOMO and LUMOorbitals, etc....

متن کامل

Quantitative Correlation of Randić Indices and Adjacency Matrixes With Dewar Resonance Energy of Annulene Compounds

Topological indices are the numerical value associated with chemical constitution purporting for correlation ofchemical structure with various physical properties, chemical reactivity or biological activity. Graph theory is adelightful playground for the exploration of proof techniques in Discrete Mathematics and its results haveapplications in many areas of sciences. One of the useful indices ...

متن کامل

Topological Relationship Between One-Dimensional Box Model and Randić Indices in Linear Simple Conjugated Polyenes

The alternative double bonds and conjugation in the polyene compounds are one of the main properties in these compounds. Each carbon-carbon bonds in a polyene compound along the chain has appreciable double-bond character. The p-electrons are therefore not localized but are relatively free to move throughout the entire carbon skeleton as an one-dimensional box. The skeleton be considered as a r...

متن کامل

quantitative correlation of randić indices and adjacency matrixes with dewar resonance energy of annulene compounds

topological indices are the numerical value associated with chemical constitution purporting for correlation ofchemical structure with various physical properties, chemical reactivity or biological activity. graph theory is adelightful playground for the exploration of proof techniques in discrete mathematics and its results haveapplications in many areas of sciences. one of the useful indices ...

متن کامل

topological relationship between one-dimensional box model and randić indices in linear simple conjugated polyenes

the alternative double bonds and conjugation in the polyene compounds are one of the main properties in these compounds. each carbon-carbon bonds in a polyene compound along the chain has appreciable double-bond character. the p-electrons are therefore not localized but are relatively free to move throughout the entire carbon skeleton as an one-dimensional box. the skeleton be considered as a r...

متن کامل

The Structural Relationship Between Topological Indices and Some Thermodynamic Properties

The fact that the properties of a molecule are tightly connected to its structural  characteristics  is one of the fundamental concepts in chemistry. In this connection,  graph theory has been successfully applied in developing some relationships between topological indices and some thermodynamic properties. So ,  a novel method for computing the new descriptors to construct a quantitative rela...

متن کامل

منابع من

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


عنوان ژورنال:
journal of physical & theoretical chemistry

ISSN

دوره 1

شماره 4 2005

میزبانی شده توسط پلتفرم ابری doprax.com

copyright © 2015-2023