Electronic Transition of Ferrocenium: Neon Matrix and CASPT2 Studies
نویسندگان
چکیده
منابع مشابه
Electronic transitions of C6H4+ isomers: neon matrix and theoretical studies.
Three open-chain isomers of C6H4(+) and two cyclic ones were detected following mass-selective trapping in 6 K neon matrixes. The open-chain cations 5-hexene-1,3-diyne (CH2═CH-CC-CC-H)(+) and cis- (cis-HCC-CH═CH-CCH)(+) and trans-3-hexene-1,5-diyne (trans-HCC-CH═CH-CCH)(+), possess two absorption systems commencing at 609 and 373, 622 and 385, and 585 and 373 nm, respectively. They are assigned...
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DFT and HF Studies: Geometry, Hydrogen Bonding, Vibrational Frequencies and Electronic Properties of Enaminones and Their Complexes with Transition Metals
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متن کامل“ The near infrared 12 A 2 ’ ’ – X 2 A 1 ’ electronic transition of B 3 in a neon matrix ”
The 12A00 2 XA 0 1 electronic transition of the B3 molecule with origin band at 5990 cm 1 has been observed in a 6 K neon matrix. A vibrational progression in the spectrum corresponds to the excitation of the m1ða1Þ vibrational mode in the 1 A 00 2 state with a frequency of 1092 cm . The band system was detected after laser ablation of a boron rod and the origin band also after mass-selected de...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2016
ISSN: 1932-7447,1932-7455
DOI: 10.1021/acs.jpcc.6b10391