Free-jet rotational spectrum and ab initio calculations of formanilide

被引：18
|
作者：
Ottaviani, P [1 ]
Melandri, S [1 ]
Maris, A [1 ]
Favero, PG [1 ]
Caminati, W [1 ]
机构：
[1] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy
来源：
JOURNAL OF MOLECULAR SPECTROSCOPY | 2001年 / 205卷 / 01期
关键词：
conformational equilibria; free-jets; rotational spectroscopy; ab initio calculations;
D O I：
10.1006/jmsp.2000.8243
中图分类号：
O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号：
070203 ; 070304 ; 081704 ; 1406 ;
摘要：
Formanilide has been investigated by free-jet millimeter-wave absorption spectroscopy. The rotational spectrum of the conformer with the formyl hydrogen anti to the phenyl group has been assigned. Several rotational transitions of the ground state have been measured for both normal and ND isotopic species. All the atoms of the peptidic group are coplanar to the ring. (C) 2001 Academic Press.
引用
收藏
页码：173 / 176
页数：4
相关论文
共 50 条
  • [1] Free jet rotational spectrum and ab initio calculations of acetanilide
    Caminati, W
    Maris, A
    Millemaggi, A
    NEW JOURNAL OF CHEMISTRY, 2000, 24 (10) : 821 - 824
  • [2] Free-jet rotational spectrum and tunneling motion of difluoromethane ... xenon
    Caminati, W
    JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (13): : 4359 - 4362
  • [3] Free-jet rotational spectrum and tunneling motion in difluoromethane••• krypton
    Maris, A
    Melandri, S
    Caminati, W
    Rossi, I
    CHEMICAL PHYSICS LETTERS, 2005, 407 (1-3) : 192 - 198
  • [4] Rotational spectrum and ab initio calculations of N-methylformamide
    Fantoni, AC
    Caminati, W
    JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1996, 92 (03): : 343 - 346
  • [5] Insights into photodissociation dynamics of benzamide and formanilide from ab initio calculations
    Chen, XB
    Fang, WH
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (29) : 8976 - 8980
  • [6] Conformational landscapes and free-jet rotational spectrum of indan-1-ol
    Velino, B
    Ottaviani, P
    Caminati, W
    Giardini, A
    Paladini, A
    CHEMPHYSCHEM, 2006, 7 (03) : 565 - 568
  • [7] Insights into photodissociation dynamics of benzamide and formanilide from ab initio calculations
    Chen, Xue-Bo
    Fang, Wei-Hai
    1600, American Chemical Society (126):
  • [8] Free jet rotational spectrum of propylene oxide-krypton and modelling and ab initio calculations for propylene oxide-rare gas dimers
    Blanco, S
    Melandri, S
    Maris, A
    Caminati, W
    Velino, B
    Kisiel, Z
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2003, 5 (07) : 1359 - 1364
  • [9] Rotational spectrum, ring-puckering vibration and ab initio calculations on tetrahydrothiophene
    Margulès, L
    Sanz, ME
    Kassi, S
    Petitprez, D
    Wlodarczak, G
    López, JC
    Boggs, JE
    CHEMICAL PHYSICS, 2001, 263 (01) : 19 - 31
  • [10] Ab initio calculations of the spectrum of lawrencium
    Kahl, E., V
    Raeder, S.
    Eliav, E.
    Borschevsky, A.
    Berengut, J. C.
    PHYSICAL REVIEW A, 2021, 104 (05)
12345