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Volumn 104, Issue 16, 2000, Pages 3544-3552

Spectroscopic characterization of matrix-isolated phenylcarbene and cycloheptatetraene

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC HYDROCARBONS; CHEMICAL BONDS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; INFRARED SPECTROSCOPY; SPECTRUM ANALYSIS; ULTRAVIOLET SPECTROSCOPY;

EID: 0033749925     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp993496j     Document Type: Article
Times cited : (37)

References (34)
  • 14
    • 33645954874 scopus 로고    scopus 로고
    • (14) Matzinger, S.; Bally, T.; Bednarek, P. Manuscript in preparation.
    • , vol.14
  • 17
    • 33645952960 scopus 로고    scopus 로고
    • The very efficient broadband photolysis of PDM in the UV does not lead to any quantity of 1 that is detectable by absorption spectroscopy
    • The very efficient broadband photolysis of PDM in the UV does not lead to any quantity of 1 that is detectable by absorption spectroscopy.
  • 20
    • 33645918953 scopus 로고
    • Andersson, K.; Blomberg, M. R. A.; Fülscher, M. P.; Kellö, V.; Lindh, R.; Malmqvist, P.-Å.; Noga, J.; Olson, J.; Roos, B. O.; Sadlej, A.; Siegbahn, P. E. M.; Urban, M.; Widmark, P.-O. MOLCAS, Versions 3 and 4: University of Lund, Sweden, 1994.
    • (1994)
  • 22
    • 85089618882 scopus 로고
    • Tang, W. Ph.D. Dissertation no. 1017, University of Fribourg, Switzerland, 1992.
    • (1992) , pp. 1017
  • 24
    • 33645942056 scopus 로고    scopus 로고
    • (24) McMahon, R. J., personal communication.
    • , vol.24
  • 26
    • 0021155363 scopus 로고
    • A similar analogy between the diphenylmethyl radical and diphenyl carbene has been pointed out previously: Hadel, L. M.; Platz, M. S.; Scaiano, J. C. J. Am. Chem. Soc. 1984, 196, 283.
    • (1984) J. Am. Chem. Soc. , vol.196 , pp. 283
    • Hadel, L.M.1    Platz, M.S.2    Scaiano, J.C.3
  • 28
    • 33645946982 scopus 로고    scopus 로고
    • All states of 1 and 2 are described correctly within the theoretical framework of this model, that is, the CASPT2 wave functions are described to 74-77% by the CASSCF reference wave functions
    • All states of 1 and 2 are described correctly within the theoretical framework of this model, that is, the CASPT2 wave functions are described to 74-77% by the CASSCF reference wave functions.
  • 33
    • 33645907818 scopus 로고    scopus 로고
    • note
    • 6, where V is in hartree and x is the deviation of the angle from the equilibrium value (134°) in radians. A reduced mass of 1.179 amu was calculated from the B3LYP optimized structure after a treatment based on reduced moments of inertia (Mohr, W. University of Bern, Switzerland, private communication).
  • 34
    • 33645913511 scopus 로고    scopus 로고
    • (34) The rest of the spectrum is only marginally affected by this (see Supporting Information).
    • , vol.34


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.