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Volumn 111, Issue 13, 2007, Pages 2498-2506

Vibrational spectroscopy of 1,1-difluorocyclopropane-d0, -d 2, and -d4: The equilibrium structure of difluorocyclopropane

Author keywords

[No Author keywords available]

Indexed keywords

EQUILIBRIUM ROTATIONAL CONSTANT; GROUND STATE ROTATIONAL CONSTANT; ISOTOPOMERS; RAMAN DEPOLARIZATION;

EID: 34247470268     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0686947     Document Type: Article
Times cited : (18)

References (35)
  • 3
    • 34247488202 scopus 로고    scopus 로고
    • The three stretching coordinates for the CC bonds provide a kinematically complete description of the ring stretching. This description for C3 rings has been widely used in the literature. However, some angle bending is involved along with bond stretching in the symmetry coordinates for C 4-C5 stretching (a1) and for antisymmetric C4-C1-C5 stretching b1, Some angle bending contributes to the CC force constants presented in Table 2, although this contribution is small because of the inherently smaller force constants for angle bending
    • 1). Some angle bending contributes to the CC force constants presented in Table 2, although this contribution is small because of the inherently smaller force constants for angle bending.
  • 23
    • 34247498066 scopus 로고    scopus 로고
    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb; M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keit
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb; M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
  • 31
    • 34247470621 scopus 로고    scopus 로고
    • STRFIT87 program came from Robert L. Kuczkowski's laboratory at the University of Michigan. The original program was written by Richard Schwendemann at Michigan State University.
    • STRFIT87 program came from Robert L. Kuczkowski's laboratory at the University of Michigan. The original program was written by Richard Schwendemann at Michigan State University.
  • 34
    • 34247479348 scopus 로고    scopus 로고
    • HCH = 115.0̊ in ref 1.
    • HCH = 115.0̊ in ref 1.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.