메뉴 건너뛰기




Volumn 133, Issue 16, 2010, Pages

Complete experimental rovibrational eigenenergies of HNC up to 3743 cm-1 above the ground state

Author keywords

[No Author keywords available]

Indexed keywords

BENDING VIBRATIONS; EIGENENERGIES; EXPERIMENTAL CHARACTERIZATION; HIGH TEMPERATURE; ISOMERIZATION REACTION; MODEL SYSTEM; NEW MODEL; POTENTIAL SURFACES; ROTATIONAL PERTURBATION; SPECTROSCOPIC CONSTANTS; TRIATOMIC MOLECULES; UNIMOLECULAR REACTIONS; VIBRATIONAL STATE; VIBRATIONAL SUBSTATES;

EID: 78149371052     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3503508     Document Type: Article
Times cited : (27)

References (84)
  • 3
    • 0034721713 scopus 로고    scopus 로고
    • SCIEAS 0036-8075, 10.1126/science.290.5492.724
    • J. M. Bowman, Science SCIEAS 0036-8075 290, 724 (2000). 10.1126/science.290.5492.724
    • (2000) Science , vol.290 , pp. 724
    • Bowman, J.M.1
  • 5
    • 0001191509 scopus 로고
    • JMOSB4 0022-2860, 10.1016/0022-2860(80)80355-3
    • A. Schmiedekamp, C. W. Bock, and P. George, J. Mol. Struct. JMOSB4 0022-2860 67, 107 (1980). 10.1016/0022-2860(80)80355-3
    • (1980) J. Mol. Struct. , vol.67 , pp. 107
    • Schmiedekamp, A.1    Bock, C.W.2    George, P.3
  • 9
    • 0000690504 scopus 로고
    • ARPLAP 0066-426X, 10.1146/annurev.pc.40.100189.002345
    • Z. Bacic and J. C. Light, Annu. Rev. Phys. Chem. ARPLAP 0066-426X 40, 469 (1989). 10.1146/annurev.pc.40.100189.002345
    • (1989) Annu. Rev. Phys. Chem. , vol.40 , pp. 469
    • Bacic, Z.1    Light, J.C.2
  • 11
    • 36549102644 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.458838
    • M. Mladenovic and Z. BaCic, J. Chem. Phys. JCPSA6 0021-9606 93, 3039 (1990). 10.1063/1.458838
    • (1990) J. Chem. Phys. , vol.93 , pp. 3039
    • Mladenovic, M.1    Bacic, Z.2
  • 12
    • 0000829961 scopus 로고
    • CHPLBC 0009-2614, 10.1016/0009-2614(91)90073-I
    • T. J. Lee and A. P. Rendell, Chem. Phys. Lett. CHPLBC 0009-2614 177, 491 (1991). 10.1016/0009-2614(91)90073-I
    • (1991) Chem. Phys. Lett. , vol.177 , pp. 491
    • Lee, T.J.1    Rendell, A.P.2
  • 15
    • 36449009471 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.466253
    • J. F. Stanton and J. Gauss, J. Chem. Phys. JCPSA6 0021-9606 100, 4695 (1994). 10.1063/1.466253
    • (1994) J. Chem. Phys. , vol.100 , pp. 4695
    • Stanton, J.F.1    Gauss, J.2
  • 17
    • 0031138699 scopus 로고    scopus 로고
    • A simulation of ultrafast state-selective IR-laser-controlled isomerization of hydrogen cyanide based on global 3D ab initio potential and dipole surfaces
    • DOI 10.1016/S0301-0104(97)00056-6, Dynamics of Driven Quantum Systems
    • W. Jakubetz and B. L. Lan, Chem. Phys. CMPHC2 0301-0104 217, 375 (1997). 10.1016/S0301-0104(97)00056-6 (Pubitemid 127065660)
    • (1997) Chemical Physics , vol.217 , Issue.2-3 , pp. 375-388
    • Jakubetz, W.1    Lan, B.L.2
  • 19
    • 0000237760 scopus 로고    scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.474699
    • Q. Wu, J. Z. H. Zhang, and J. M. Bowman, J. Chem. Phys. JCPSA6 0021-9606 107, 3602 (1997). 10.1063/1.474699
    • (1997) J. Chem. Phys. , vol.107 , pp. 3602
    • Wu, Q.1    Zhang, J.Z.H.2    Bowman, J.M.3
  • 21
    • 0001605766 scopus 로고    scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.481012
    • K. M. Christoffel and J. M. Bowman, J. Chem. Phys. JCPSA6 0021-9606 112, 4496 (2000). 10.1063/1.481012
    • (2000) J. Chem. Phys. , vol.112 , pp. 4496
    • Christoffel, K.M.1    Bowman, J.M.2
  • 23
    • 0035826621 scopus 로고    scopus 로고
    • Dipole moments of highly vibrationally excited HCN: Theoretical prediction of an experimental diagnostic for delocalized states
    • DOI 10.1063/1.1364681
    • J. M. Bowman, S. Irle, K. Morokuma, and A. Wodtke, J. Chem. Phys. JCPSA6 0021-9606 114, 7923 (2001). 10.1063/1.1364681 (Pubitemid 32486707)
    • (2001) Journal of Chemical Physics , vol.114 , Issue.18 , pp. 7923-7934
    • Bowman, J.M.1    Irle, S.2    Morokuma, K.3    Wodtke, A.4
  • 24
    • 0000339858 scopus 로고    scopus 로고
    • Sequential STIRAP-based control of the HCN→CNH isomerization
    • DOI 10.1016/S0009-2614(01)00779-5, PII S0009261401007795
    • V. Kurkal and S. Rice, Chem. Phys. Lett. CHPLBC 0009-2614 344, 125 (2001). 10.1016/S0009-2614(01)00779-5 (Pubitemid 33640183)
    • (2001) Chemical Physics Letters , vol.344 , Issue.1-2 , pp. 125-137
    • Kurkal, V.1    Rice, S.A.2
  • 25
    • 0035870576 scopus 로고    scopus 로고
    • A harmonic adiabatic approximation to calculate highly excited vibrational levels of "floppy molecules"
    • DOI 10.1063/1.1350904
    • D. Lauvergnat, A. Nauts, Y. Justum, and X. Chapuisat, J. Chem. Phys. JCPSA6 0021-9606 114, 6592 (2001). 10.1063/1.1350904 (Pubitemid 32419533)
    • (2001) Journal of Chemical Physics , vol.114 , Issue.15 , pp. 6592-6604
    • Lauvergnat, D.1    Nauts, A.2    Justum, Y.3    Chapuisat, X.4
  • 27
    • 0035930954 scopus 로고    scopus 로고
    • Valence bond curve-crossing model of the 1,2-hydrogen shift in HCN and isovalent systems
    • DOI 10.1016/S0009-2614(01)01300-8, PII S0009261401013008
    • D. Lauvergnat, A. Simon, and P. Maitre, Chem. Phys. Lett. CHPLBC 0009-2614 350, 345 (2001). 10.1016/S0009-2614(01)01300-8 (Pubitemid 33628658)
    • (2001) Chemical Physics Letters , vol.350 , Issue.3-4 , pp. 345-350
    • Lauvergnat, D.1    Simon, A.2    Maitre, P.3
  • 30
    • 0012751009 scopus 로고    scopus 로고
    • Opacity data for HCN and HNC from a new AB initio line list
    • DOI 10.1086/342318
    • G. J. Harris, O. L. Polyanski, and J. Tennyson, Astrophys. J. ASJOAB 0004-637X 578, 657 (2002). 10.1086/342318 (Pubitemid 37103812)
    • (2002) Astrophysical Journal , vol.578 , Issue.1 I , pp. 657-663
    • Harris, G.J.1    Polyansky, O.L.2    Tennyson, J.3
  • 33
    • 27644582841 scopus 로고    scopus 로고
    • Phase-space reaction network on a multisaddle energy landscape: HCN isomerization
    • DOI 10.1063/1.2044707, 184301
    • C. B. Li, Y. Matsunaga, M. Toda, and T. Komatsuzaki, J. Chem. Phys. JCPSA6 0021-9606 123, 184301 (2005). 10.1063/1.2044707 (Pubitemid 41580105)
    • (2005) Journal of Chemical Physics , vol.123 , Issue.18 , pp. 1-13
    • Li, C.-B.1    Matsunaga, Y.2    Toda, M.3    Komatsuzaki, T.4
  • 35
    • 31544477996 scopus 로고    scopus 로고
    • Including anharmonicity in the calculation of rate constants. 1. The HCN/HNC isomerization reaction
    • DOI 10.1021/jp058113y
    • A. D. Isaacson, J. Phys. Chem. A JPCAFH 1089-5639 110, 379 (2006). 10.1021/jp058113y (Pubitemid 43164627)
    • (2006) Journal of Physical Chemistry A , vol.110 , Issue.2 , pp. 379-388
    • Isaacson, A.D.1
  • 36
    • 33746319385 scopus 로고    scopus 로고
    • Dynamics of radiation induced isomerization for HCN-CNH
    • DOI 10.1063/1.2216704
    • K. Na, C. Jung, and L. E. Reichl, J. Chem. Phys. JCPSA6 0021-9606 125, 034301 (2006). 10.1063/1.2216704 (Pubitemid 44107131)
    • (2006) Journal of Chemical Physics , vol.125 , Issue.3 , pp. 034301
    • Na, K.1    Jung, C.2    Reichl, L.E.3
  • 37
    • 37849185284 scopus 로고    scopus 로고
    • Chaotic motion in bending induced intramolecular transition: A case study of HCN, HNC and the transition state
    • DOI 10.1016/j.cplett.2006.10.122, PII S0009261406016393
    • S. Ou, G. Wu, and P. Wang, Chem. Phys. Lett. CHPLBC 0009-2614 432, 623 (2006). 10.1016/j.cplett.2006.10.122 (Pubitemid 44828039)
    • (2006) Chemical Physics Letters , vol.432 , Issue.4-6 , pp. 623-628
    • Ou, S.1    Wu, G.2    Wang, P.3
  • 38
    • 31544444982 scopus 로고    scopus 로고
    • New double many-body expansion potential energy surface for ground-state HCN from a multiproperty fit to accurate ab initio energies and rovibrational calculations
    • DOI 10.1021/jp051434p
    • A. J. C. Varandas and S. P. J. Rodrigues, J. Phys. Chem. A JPCAFH 1089-5639 110, 485 (2006). 10.1021/jp051434p (Pubitemid 43164639)
    • (2006) Journal of Physical Chemistry A , vol.110 , Issue.2 , pp. 485-493
    • Varandas, A.J.C.1    Rodrigues, S.P.J.2
  • 39
    • 0000484676 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.1734312
    • D. E. Milligan and M. E. Jacox, J. Chem. Phys. JCPSA6 0021-9606 39, 712 (1963). 10.1063/1.1734312
    • (1963) J. Chem. Phys. , vol.39 , pp. 712
    • Milligan, D.E.1    Jacox, M.E.2
  • 40
    • 36849115036 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.1711859
    • D. E. Milligan and M. E. Jacox, J. Chem. Phys. JCPSA6 0021-9606 47, 278 (1967). 10.1063/1.1711859
    • (1967) J. Chem. Phys. , vol.47 , pp. 278
    • Milligan, D.E.1    Jacox, M.E.2
  • 41
    • 0041989029 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.431764
    • C. A. Arrington and E. A. Ogryzlo, J. Chem. Phys. JCPSA6 0021-9606 63, 3670 (1975). 10.1063/1.431764
    • (1975) J. Chem. Phys. , vol.63 , pp. 3670
    • Arrington, C.A.1    Ogryzlo, E.A.2
  • 43
    • 36749117695 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.442645
    • A. G. Maki and R. L. Sams, J. Chem. Phys. JCPSA6 0021-9606 75, 4178 (1981). 10.1063/1.442645
    • (1981) J. Chem. Phys. , vol.75 , pp. 4178
    • Maki, A.G.1    Sams, R.L.2
  • 46
    • 36449001764 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.465135
    • T. Okabayashi and M. Tanimoto, J. Chem. Phys. JCPSA6 0021-9606 99, 3268 (1993). 10.1063/1.465135
    • (1993) J. Chem. Phys. , vol.99 , pp. 3268
    • Okabayashi, T.1    Tanimoto, M.2
  • 49
  • 50
    • 0001424744 scopus 로고    scopus 로고
    • CHPLBC 0009-2614, 10.1016/S0009-2614(98)01445-6
    • G. He and R. G. Macdonald, Chem. Phys. Lett. CHPLBC 0009-2614 301, 175 (1999). 10.1016/S0009-2614(98)01445-6
    • (1999) Chem. Phys. Lett. , vol.301 , pp. 175
    • He, G.1    MacDonald, R.G.2
  • 52
    • 0035527189 scopus 로고    scopus 로고
    • JMOSA3 0022-2852, 10.1006/jms2000.8279
    • A. Maki and G. Ch. Mellau, J. Mol. Spectrosc. JMOSA3 0022-2852 206, 47 (2001). 10.1006/jmsp.2000.8279
    • (2001) J. Mol. Spectrosc. , vol.206 , pp. 47
    • Maki, A.1    Mellau, G.Ch.2
  • 53
    • 0035999569 scopus 로고    scopus 로고
    • JMOSA3 0022-2852, 10.1006/jms2001.8508
    • T. Amano and Z. Zelinger, J. Mol. Spectrosc. JMOSA3 0022-2852 211, 273 (2002). 10.1006/jmsp.2001.8508
    • (2002) J. Mol. Spectrosc. , vol.211 , pp. 273
    • Amano, T.1    Zelinger, Z.2
  • 57
    • 0001387992 scopus 로고
    • JMOSA3 0022-2852, 10.1016/0022-2852(89)90136-7
    • A. M. Smith, S. L. Coy, and W. Klemperer, J. Mol. Spectrosc. JMOSA3 0022-2852 134, 134 (1989). 10.1016/0022-2852(89)90136-7
    • (1989) J. Mol. Spectrosc. , vol.134 , pp. 134
    • Smith, A.M.1    Coy, S.L.2    Klemperer, W.3
  • 59
    • 0000605771 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.465866
    • D. Romanini and K. K. Lehmann, J. Chem. Phys. JCPSA6 0021-9606 99, 6287 (1993). 10.1063/1.465866
    • (1993) J. Chem. Phys. , vol.99 , pp. 6287
    • Romanini, D.1    Lehmann, K.K.2
  • 60
    • 24044477982 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.469462
    • D. Romanini and K. K. Lehmann, J. Chem. Phys. JCPSA6 0021-9606 102, 633 (1995). 10.1063/1.469462
    • (1995) J. Chem. Phys. , vol.102 , pp. 633
    • Romanini, D.1    Lehmann, K.K.2
  • 65
    • 0001262960 scopus 로고
    • JMOSA3 0022-2852, 10.1006/jms1995.1130
    • A. Maki, W. Quapp, and S. Klee, J. Mol. Spectrosc. JMOSA3 0022-2852 171, 420 (1995). 10.1006/jmsp.1995.1130
    • (1995) J. Mol. Spectrosc. , vol.171 , pp. 420
    • Maki, A.1    Quapp, W.2    Klee, S.3
  • 67
    • 78149387516 scopus 로고    scopus 로고
    • Ph.D. thesis, Justus-Liebig-Universität Giessen.
    • G. Ch. Mellau, Ph.D. thesis, Justus-Liebig-Universität Giessen, 2003.
    • (2003)
    • Mellau, G.Ch.1
  • 70
    • 78149394928 scopus 로고    scopus 로고
    • 1 band system of HNC
    • JMOSA3 0022-2852 (accepted).
    • 1 band system of HNC.," J. Mol. Spectrosc. JMOSA3 0022-2852 (accepted).
    • J. Mol. Spectrosc.
    • Mellau, G.Ch.1
  • 71
    • 78149396695 scopus 로고    scopus 로고
    • 3,e/f) 47 rovibrational states uto J=70 including the estimated positions of the perturbed levels, and the transitions used to estimate the perturbed eigenenergies between 3924 and 7575 cm-1 above the ground state.
    • 3,e/f) 47 rovibrational states up to J=70 including the estimated positions of the perturbed levels, and the transitions used to estimate the perturbed eigenenergies between 3924 and 7575 cm-1 above the ground state.
  • 78
  • 82
    • 0035151876 scopus 로고    scopus 로고
    • Spectroscopic signatures of bond-breaking internal rotation. II. Rotation-vibration level structure and quantum monodromy in HCP
    • DOI 10.1063/1.1330746
    • M. P. Jacobson and M. S. Child, J. Chem. Phys. JCPSA6 0021-9606 114, 262 (2001). 10.1063/1.1330746 (Pubitemid 32088382)
    • (2001) Journal of Chemical Physics , vol.114 , Issue.1 , pp. 262-275
    • Jacobson, M.P.1    Child, M.S.2
  • 83
    • 0035148674 scopus 로고    scopus 로고
    • Spectroscopic signatures of bond-breaking internal rotation. I. Saddle point induced polyad breakdown
    • DOI 10.1063/1.1330238
    • M. P. Jacobson and M. S. Child, J. Chem. Phys. JCPSA6 0021-9606 114, 250 (2001). 10.1063/1.1330238 (Pubitemid 32088381)
    • (2001) Journal of Chemical Physics , vol.114 , Issue.1 , pp. 250-261
    • Jacobson, M.P.1    Child, M.S.2
  • 84
    • 0035544437 scopus 로고    scopus 로고
    • JMOSA3 0022-2852, 10.1006/jms2001.8446
    • M. S. Child, J. Mol. Spectrosc. JMOSA3 0022-2852 210, 157 (2001). 10.1006/jmsp.2001.8446
    • (2001) J. Mol. Spectrosc. , vol.210 , pp. 157
    • Child, M.S.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.