H2+ MOLEKÜLÜNÜN DÖNME ENERJİLERİNİN Ne + H2+  NeH+ + H REAKSİYONU ÜZERİNDEKİ ETKİSİ

He, Ne ve Ar gibi soy gaz atomları, sıvı nitrojen sıcaklığında (düşük sıcaklık değerlerinde) önemli ölçüde elektronik iyonlaşma değerlerine sahiptirler. Bu özellikten dolayı, bazı gaz detektörleri için kullanılan ve atmosferin düşük sıcaklık bölgelerinde meydana gelen bazı kimyasal süreçlerle ilgili asal gazlar araştırılmaya teşvik edilmektedir. Bu soy gazlara konu olan kimyasal reaksiyonlar, aynı sıcaklık değerlerinde önemli davranışlar sergilediği düşünülür. Belirli enerji aralığındaki kuantum etkilerinin araştırılması ve atom- iki atom moleküler sistemlerinden oluşan kimyasal reaksiyonların sıcaklığına bağımlılığının araştırılması, reaksiyon dinamiği konusunu içerir. Başlık reaksiyonu, en yakın atomlar arası mesafedeki etkileşim bölgesinde kararlı yapı özelliğini göstermiştir. Bu nedenle başlangıçtaki hidrojen iyonunun kuantum durumlarına bağlı olarak dinamik etkilerin incelenmesine neden olur. Toplam açısal momentum ile ilgili hidrojen iyonunun açısal davranışlarının katkıları ve bu davranışların reaksiyon oluşumlarına etkisi üç boyutlu kuantum mekanik yöntemlerle incelenmiştir.

THE EFFECT OF THE ROTATION ENERGİES OF H2+ MOLECULE ON THE Ne + H2+ --> NeH+ + H REACTION

The noble gas atoms such as He, Ne and Ar have significantly electronic ionization values around liquid nitrogen temperature (at low temperature values). Because of this feature, the noble gases which are used for some gas detectors, and which is related certain chemical process occurring in the low temperature regions of atmosphere are encouraged to be researched. The chemical reactions subjected to these noble gas atoms have been believed to exhibit important behaviors at the same temperature values. The investigation of their quantum effects in particular energy range and the dependence on temperature of chemical reactions consisting of atom-diatom molecular systems include the subject of reaction dynamics. The title reaction has showed stable structure feature in the interaction region which is the nearest inter-atomic distance. For this reason, it causes to be examined of dynamic effects by depending on quantum states of initial hydrogen ion. The contributions of angular behaviors of hydrogen ion related to total angular momentum and the effects of these behaviors to reaction formations are examined via three dimensional quantum mechanical methods. 

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  • Pendergast, P., Heck, J. M., Hayes, E. F., Jaquet, R.,“Fit of The Potential Energy Surface for The Reaction Ne+H2+  NeH+ + H Using three Different Functional Forms,” Journal of Chemical Physics, 98(6), PP. 4543-4547, 1993.
  • Gonzalez, M., Blasco, R. M., Gimenez, X., Aguilar, A., “A Quasiclassical and Approximate Quantum Mechanical Study of the Intramolecular Isotope Effect in Proton Transfer Elementary Reactions: the Ne + HD+  NeH+ (NeD+) + D (H) System at Low and Moderate Collision Energies (0.002-0.77 eV),” Chemical Physics, 209, 355-365, 1996.
  • Mayneris, J., Sierra, J. D., Gonzalez, M., “Time Dependent Quantum Dynamics Study of the Ne + H2+ (v=0-4)  NeH+ +H Proton Transfer Reaction”, The Journal of Chemical Physics, 128, 194307, pp. 1-8, 2008.
  • Lv, S.-J., Zhang, P.-Y., Han, K.-L., He, G.-Z., “Exact Quantum Scattering Study of the Ne + H2+ Reaction on a New ab Initio Potential Energy Surface”, The Journal of Chemical Physics, 132, 014303, pp. 1-6, 2010.
  • Xiao, J., Yang, C.-L., Tong, X.-F., Wang, M.-S., Ma, X.-G., “Quasi-Classical Trajectory Study of the Ne+ H2+  NeH+ + H Reaction Based on Global Potential energy Surface”, The Journal of Physical Chemistry A, 115, pp. 1486-1492, 2011.
  • Gamallo, P., Defazio, P., Gonzalez, M., “Time Dependent Quantum Dynamics Study of the Ne + H2+ (v0=0-4, j0=1) NeH++H Proton Transfer Reaction, Including the Coriolis Coupling. A System with Oscillatory Cross Sections”, The Journal of Physical Chemistry A, 115, pp. 11525-11530, 2011.
  • Gamallo, P., Larranaga, F. H., Gonzalez, M., “Resonances in the Ne + H2+  NeH+ + H Proton-Transfer Reaction”, The Journal of Physical Chemistry A, 117, pp. 5393-5400, 2013.
  • Gamallo, P., Martinez, R., Sierra, J. D., Gonzalez, M., “Understanding the Effect of Vibrational Excitation in Reaction Dynamics: The Ne + H2+ (v0=0-17, j0=1) NeH++H, Ne + H+ + H Proton Transfer and Dissociation Cross Sections”, Phys. Chem. Chem. Phys., 16, 6641-6648, 2014.
  • Yao, C.-X., Zhang, P.-Y.,“Time Dependent Wave-Packet Quantum Dynamics Study of the Ne + D2+ (v0=0-2, j0 =0)  NeD+ + D Reaction: Including the Coriolis Coupling”, The Journal of Physical Chemistry A, 118, 5076-5082, 2014.
  • G. G. Balint-Kurti, R. N. Dixon, and C. C. Marston, “Grid Methods for solving the Shrödinger-equation and time-dependent quantum Dynamics of molecular photofragmentation and reactive scattering processes, Int. Rev. Phys. Chem. 11, 317-344, 1992.
  • A. Aşkar ve C. S. Çakmak, “Explicit Integration for the Time-Dependent Schrödinger Equation for Collision Problems” J. Chem. Phys. 68, 2794, 1978.
  • M. D. Feit, J. A. Fleck and A. Steiger, “Solution of the Schrödinger Equation for Collision Problems,” J. Chem. Phys., 68, 2794, 1978.
  • H. Tal-Ezer and R. Kosloff, “An Accurate and Efficient Scheme for Propagation the time Dependent Schrödinger Equation,” J. Chem. Phys. 81, 3967, 1984.
  • A. Lagana, A. Riganelli, “Reaction and Molecular Dynamics”, springer-Verlag Berlin Heidelberg, pp. 74-87, 2000.
  • S. K. Gray, G. G. Balint- Kurti, “Quantum Dynamics with Real Wave Packets, Including Application to three Dimansional D+H2 Reactive Scattering,” Chem. Phys., 108, 950, 1998.
  • R. A. Sultanov, N. Balakrishnan, “Oxygen Chemistry in the Interstellar Medium: The Effect of Vibrational Excitation of H2 in the O(3P)+H2 Reaction “ The Astrophsical Journal, 629, pp. 305-310, 2005.
  • X. Tang, C. Houchins, K. Lau, C. Y. Ng, R. A. Dressler, Y. Chiu, T. Chu, K. Han, “Time dependent wave packet Quantum Scattering Study of The Reaction He+HD,” Journal of Chem. Phys., 127, 164318, 2007.
  • F. Gogtas, “Time- Dependent Quantum Dynamics of Reactive Scattering Li+HF → LiH+F,” Ph. D. Thesis, University of Bristol, p.195, 1995.
NeH+ + H REACTION}, key = {cite}, author = {Karabulut, Ezman} } APA Karabulut, E. (2018). THE EFFECT OF THE ROTATION ENERGİES OF H2+ MOLECULE ON THE Ne + H2+ --> NeH+ + H REACTION . Sakarya University Journal of Science , 22 (6) , 1552-1558 . DOI: 10.16984/saufenbilder.340849 MLA Karabulut, E. "THE EFFECT OF THE ROTATION ENERGİES OF H2+ MOLECULE ON THE Ne + H2+ --> NeH+ + H REACTION" . Sakarya University Journal of Science 22 (2018 ): 1552-1558 < Chicago Karabulut, E. "THE EFFECT OF THE ROTATION ENERGİES OF H2+ MOLECULE ON THE Ne + H2+ --> NeH+ + H REACTION". Sakarya University Journal of Science 22 (2018 ): 1552-1558 RIS TY - JOUR T1 - H2+ MOLEKÜLÜNÜN DÖNME ENERJİLERİNİN Ne + H2+  NeH+ + H REAKSİYONU ÜZERİNDEKİ ETKİSİ AU - EzmanKarabulut Y1 - 2018 PY - 2018 N1 - doi: 10.16984/saufenbilder.340849 DO - 10.16984/saufenbilder.340849 T2 - Sakarya University Journal of Science JF - Journal JO - JOR SP - 1552 EP - 1558 VL - 22 IS - 6 SN - -2147-835X M3 - doi: 10.16984/saufenbilder.340849 UR - Y2 - 2018 ER - EndNote %0 Sakarya University Journal of Science THE EFFECT OF THE ROTATION ENERGİES OF H2+ MOLECULE ON THE Ne + H2+ --> NeH+ + H REACTION %A Ezman Karabulut %T THE EFFECT OF THE ROTATION ENERGİES OF H2+ MOLECULE ON THE Ne + H2+ --> NeH+ + H REACTION %D 2018 %J Sakarya University Journal of Science %P -2147-835X %V 22 %N 6 %R doi: 10.16984/saufenbilder.340849 %U 10.16984/saufenbilder.340849 ISNAD Karabulut, Ezman . "THE EFFECT OF THE ROTATION ENERGİES OF H2+ MOLECULE ON THE Ne + H2+ --> NeH+ + H REACTION". Sakarya University Journal of Science 22 / 6 (Aralık 2018): 1552-1558 . AMA Karabulut E. THE EFFECT OF THE ROTATION ENERGİES OF H2+ MOLECULE ON THE Ne + H2+ --> NeH+ + H REACTION. SAUJS. 2018; 22(6): 1552-1558. Vancouver Karabulut E. THE EFFECT OF THE ROTATION ENERGİES OF H2+ MOLECULE ON THE Ne + H2+ --> NeH+ + H REACTION. Sakarya University Journal of Science. 2018; 22(6): 1552-1558. IEEE E. Karabulut , "THE EFFECT OF THE ROTATION ENERGİES OF H2+ MOLECULE ON THE Ne + H2+ --> NeH+ + H REACTION", , c. 22, sayı. 6, ss. 1552-1558, Ara. 2018, doi:10.16984/saufenbilder.340849
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