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Title

SIMULATION OF EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER IN [2, 2′- BIPYRIDINE]-3, 3′-DIOL BY DFT METHOD

Author(s)

 BAFARAKH Z. | OFTADEH M. | RAVARI F.

Pages

  -

Keywords

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Abstract

 THE EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER PROCESS (ESIPT) HAS BEEN INVESTIGATED IN THE S1 AND T1 STATES OF [2, 2′-BIPYRIDYL] -3, 3′-DIOL USING THE CIS METHOD. STATIC INVESTIGATION OF STATIONARY POINTS HAS BEEN PERFORMED BY DFT METHOD. THESE CALCULATIONS SHOW THAT THE CONCERTED DIPROTON TRANSFER IN T1 PROCEEDS AND DIKETO (DK) FORM IS STABLE FORM IN THIS STATE....

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    APA: Copy

    Bafarakh, Z., OFTADEH, M., & RAVARI, F.. (2016). SIMULATION OF EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER IN [2, 2?- BIPYRIDINE]-3, 3?-DIOL BY DFT METHOD. IRANIAN PHYSICAL CHEMISTRY CONFERENCE. SID. https://sid.ir/paper/923819/en

    Vancouver: Copy

    Bafarakh Z., OFTADEH M., RAVARI F.. SIMULATION OF EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER IN [2, 2?- BIPYRIDINE]-3, 3?-DIOL BY DFT METHOD. 2016. Available from: https://sid.ir/paper/923819/en

    IEEE: Copy

    Z. Bafarakh, M. OFTADEH, and F. RAVARI, “SIMULATION OF EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER IN [2, 2?- BIPYRIDINE]-3, 3?-DIOL BY DFT METHOD,” presented at the IRANIAN PHYSICAL CHEMISTRY CONFERENCE. 2016, [Online]. Available: https://sid.ir/paper/923819/en

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