derivation of ionization energy and electron affinity equations using chemical hardness and absolute electronegativity in isoelectronic series

نویسندگان

s. kaya

- c. kaya

-

چکیده

chemical hardness () and absolute electronegativity () have important applications in chemistry. inthe conceptual density functional theory (dft), these concepts has been associated with electronicenergy and the relationship with ionization energy (i) and electron affinity (a) of these concepts hasbeen given. in this study, graphical method was used in order to see the relationship with the atomicnumber (z) of chemical hardness and absolute electronegativity in isoelectronic series. these serieswas considered because all members of an isoelectronic series have the same shielding constant.chemical hardness and electronegativity equations depending on atomic number were obtained fromgraphs of =f(z) and =f(z) for isoelectronic series that contain electron from 1 to 20. ionizationenergy and electron affinity equations were obtained making use from the chemical hardness andelectronegativity equations. in the last stage, the relationship with the number of electron ofcoefficients in the ionization energy and electron affinity equations was examined. as a result, newequations consistent with experimental results that depending on atomic number and number ofelectron were obtained.

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

Derivation of ionization energy and electron affinity equations using chemical hardness and absolute electronegativity in isoelectronic series

Chemical hardness () and absolute electronegativity () have important applications in chemistry. Inthe conceptual Density Functional theory (DFT), these concepts has been associated with electronicenergy and the relationship with ionization energy (I) and electron affinity (A) of these concepts hasbeen given. In this study, graphical method was used in order to see the relationship with the ato...

متن کامل

Investigation of relationship with electron configuration of chemical hardness, absolute electronegativity and electrophilicity

Chemical hardness (), absolute electronegativity (), and electrophilicity () have importantapplications in inorganic chemistry. These concepts are defined quantitatively as � � �� � ����,� � �� � ����, � � ������Where I is the ionization energy and A is the electron affinity. In thisstudy, graphical method was used to see the relation of electron configuration with chemicalhardness, absolute el...

متن کامل

Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy: Molecular Properties from Density Functional Theory Orbital Energies

Representative atomic and molecular systems, including various inorganic and organic molecules with covalent and ionic bonds, have been studied by using density functional theory. The calculations were done with the commonly used exchange-correlation functional B3LYP followed by a comprehensive analysis of the calculated highest-occupied and lowest-unoccupied Kohn-Sham orbital (HOMO and LUMO) e...

متن کامل

investigation of relationship with electron configuration of chemical hardness, absolute electronegativity and electrophilicity

chemical hardness (), absolute electronegativity (), and electrophilicity () have importantapplications in inorganic chemistry. these concepts are defined quantitatively as � � �� � ����,� � �� � ����, � � ������where i is the ionization energy and a is the electron affinity. in thisstudy, graphical method was used to see the relation of electron configuration with chemicalhardness, absolute...

متن کامل

supply and demand security of energy in central asia and the caucasus

امنیت انرژی به معنی عرضه مداوم و پایدار همراه با قیمت های معقول در حامل های انرژی، که تهدیدات امنیتی، سیاسی، اقتصادی، محیط زیستی و روانی را کاهش دهد. امروزه نفت و گاز تنها، کالای تجاری نیست بلکه بعنوان ابزار سیاسی مورد استفاده قرار می گیرد.اختلاف میان روسیه و اکراین بر سر انرژی در ژانویه 2006، تهدیدی برای امنیت انرژی اروپا ایجاد کرد. در این تحقیق ما تلاش کردیم که نقش انرژی آسیای میانه و قفقاز ر...

15 صفحه اول

Absolute electronegativity and hardness correlated with molecular orbital theory.

The concepts of absolute electronegativity, chi, and absolute hardness, eta, are incorporated into molecular orbital theory. A graphic and concise definition of hardness is given as twice the energy gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital. Useful correlations can now be made between chemical behavior, visible-UV absorption spectra, optical ...

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 and theoretical chemistry

جلد ۱۱، شماره ۴، صفحات ۱۵۵-۱۶۳

میزبانی شده توسط پلتفرم ابری doprax.com

copyright © 2015-2023