Computationally efficient methodology to calculate C-H and C-X (X = F, Cl, and Br) bond dissociation energies in haloalkanes (vol 104A, pg 436, 2000)

被引:1
|
作者
McGivern, WS
Derecskei-Kovacs, A
North, SW
Francisco, JS
机构
来源
JOURNAL OF PHYSICAL CHEMISTRY A | 2000年 / 104卷 / 33期
关键词
D O I
10.1021/jp002317r
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:7916 / 7916
页数:1
相关论文
共 50 条
  • [31] COLLISION-INDUCED DISSOCIATION AND CHARGE-REVERSAL PROCESSES OF ISOMERIC C6H4X- (X = F, CL AND BR) ANIONS
    TOMPERI, PH
    MATIMBA, HEK
    INGEMANN, S
    NIBBERING, NMM
    RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 1993, 7 (08) : 749 - 756
  • [32] Interaction of CHX3 (X = F, Cl, Br) with HNO induces remarkable blue shifts of both C-H and N-H bonds (vol 11, pg 926, 2009)
    Nguyen Tien Trung
    Tran Thanh Hue
    Zeegers-Huyskens, Therese
    Minh Tho Nguyen
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2009, 11 (48) : 11656 - 11656
  • [33] Methylidyne XCMX3 (M = Cr, Mo, W; X = H, F, Cl) diagnostic C-H and C-X stretching absorptions and methylidene CH2=MX2 analogues
    Lyon, Jonathan T.
    Cho, Han-Gook
    Andrews, Lester
    ORGANOMETALLICS, 2007, 26 (25) : 6373 - 6387
  • [34] Probing Persistent Intramolecular C-H•••X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives
    Fillion, Eric
    Wilsily, Ashraf
    Fishlock, Dan
    JOURNAL OF ORGANIC CHEMISTRY, 2009, 74 (03): : 1259 - 1267
  • [35] Mild selective metathesis of alkane C-H bonds and C-X bonds of polyhalogenomethane CH(4-n)X(n) (X=Cl, n=4; Br, I, n=3) catalysed with chlorotris(triphenylphosphine)rhodium(I)
    Vedernikov, AN
    Sharifullin, RR
    Solomonov, BN
    MENDELEEV COMMUNICATIONS, 1996, (02) : 54 - 55
  • [36] Conversion of a (sp3)C-F bond of alkyl fluorides to (sp3)C-X (X=Cl, C, H, O, S, Se, Te, N) bonds using organoaluminium reagents
    Terao, Jun
    Begum, Shameem Ara
    Shinohara, Yoshiaki
    Tomita, Masahiro
    Naitoh, Yoshitaka
    Kambe, Nobuaki
    CHEMICAL COMMUNICATIONS, 2007, (08) : 855 - 857
  • [37] Structure and bonding in NbX5 X = (F, Cl, Br and I) complexes: a molecular orbital perspective in the C–H bond activation
    Telles Cardoso Silva
    Maíra dos Santos Pires
    Alexandre Alves de Castro
    Lívia Clara Tavares Lacerda
    Marcus Vinícius Juliaci Rocha
    Teodorico Castro Ramalho
    Theoretical Chemistry Accounts, 2018, 137
  • [38] C-H horizontal ellipsis X (X = F, Cl, Br, I) Versus p-Stacking in the Crystal Packing of Compounds Containing the {M(tpy)X3} Motif
    Housecroft, Catherine E.
    Constable, Edwin C.
    CRYSTALS, 2023, 13 (06)
  • [39] Interaction of CHX3 (X = F, Cl, Br) with HNO induces remarkable blue shifts of both C-H and N-H bonds
    Trung, Nguyen Tien
    Hue, Tran Thanh
    Nguyen, Minh Tho
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2009, 11 (06) : 926 - 933
  • [40] Identification and H(D)-bond energies of C-H(D)•••Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study
    Serebryanskaya, Tatiyana V.
    Novikov, Alexander S.
    Gushchin, Pavel V.
    Haukka, Matti
    Asfin, Ruslan E.
    Tolstoy, Peter M.
    Kukushkin, Vadim Yu.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (20) : 14104 - 14112