✦ LIBER ✦

Ground and excited state intramolecular proton transfer in OCCNN ring

✍ Scribed by Xiaofeng Duan; Steve Scheiner

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 774 KB
Volume: 204
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)85602-k

No coin nor oath required. For personal study only.

✦ Synopsis

Molecular orbital calculations reveal that the keto tautomer of HOCHCHNHNCHz, unlike the enol, does not represent a minimum in the ground state proton transfer potential. Excitation to the first excited singlet or triplet state leads to a rapid and barrierless transfer to the keto which becomes strongly preferred. Similar conclusions apply to a larger system with a full aromatic ring appended.

📜 SIMILAR VOLUMES

Excited State Intramolecular Proton Tran

Excited State Intramolecular Proton Transfer in Methyl and Methoxy Substituted Salicylic Acid

✍ Kumar Sahoo Suban; Kanta Bera Rati; Kishore Kanungo Bikram; Baral Minati 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 242 KB

Hydrogen Bonding and Transfer in the Exc

Hydrogen Bonding and Transfer in the Excited State (Han/Hydrogen Bonding and Transfer in the Excited State) || Excited-State Intramolecular Proton Transfer in 2-(2â²-Hydroxyphenyl)benzoxazole Derivatives

✍ Han, Ke-Li; Zhao, Guang-Jiu 📂 Article 📅 2010 🏛 John Wiley & Sons, Ltd 🌐 English ⚖ 411 KB 👁 1 views

Effect of nonproximate atomic substituti

Effect of nonproximate atomic substitution on excited state intramolecular proton transfer

✍ ?uma, Martin; Thompson, Clifton; Scheiner, Steve 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 223 KB 👁 2 views

The central C atom of the OCCCO skeleton of the malonaldehyde molecule is replaced by N, and the effects upon the intramolecular H-bond and the proton transfer are monitored by ab initio calculations in the ground and excited electronic states. The H-bond is weakened in the singlet and triplet state

Dual fluorescence and excited-state intr

Dual fluorescence and excited-state intramolecular proton transfer in jet-cooled 3,4-benzotropolone

✍ Hiroshi Sekiya; Mariko Habu; Hiroki Ujita; Takeshi Tsuji; Akira Mori; Hitoshi Ta 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 564 KB

Dynamics of excited-state intramolecular

Dynamics of excited-state intramolecular proton transfer reactions in piroxicam. Role of triplet states

✍ Dae Won Cho; Yong Hee Kim; Minjoong Yoon; Sae Chae Jeoung; Dongho Kim 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 484 KB

Barrier for excited-state intramolecular

Barrier for excited-state intramolecular proton transfer and proton tunneling in bis-2,5-(2-benzoxazolyl)-hydroquinone

✍ U. Brackmann; N. Ernsting; D. Ouw; K. Schmitt 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 517 KB

The exiration spccrra of dual fluoresccncc for isolated bis-2.5(2-benzo\xolyl)-hydroquinone at IOU remperaturrs in a supersonic jet is reported. The vibronic structure near the electronic origin for the 4 10 run band is attributed to proton transfer. Proton trmsfcr WBS observed for the vibrationally