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Structural Distortion of Pyridazine in the 1 ( n ,π*) Excited State: Evidence for Local Excitation
Author(s) -
Choi KyoWon,
Ahn DooSik,
Lee Sungyul,
Choi Heechol,
Baeck KyoungKoo,
Heo SeongUng,
Baek Sun Jong,
Choi Young S.,
Kim Sang Kyu
Publication year - 2004
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200400053
Subject(s) - pyridazine , excitation , excited state , distortion (music) , atomic physics , chemistry , state (computer science) , physics , stereochemistry , quantum mechanics , mathematics , amplifier , optoelectronics , cmos , algorithm
Exciting results: The graphic shows the calculated structure of pyridazine in the S 1 state, demonstrating the distorted C S geometry due to the local 1 ( n ,π*) excitation—the nature of vibronic states of the S 1 pyridazine has been clearly identified for the first time.