THE STRUCTURES, DIPOLE-MOMENTS AND RELATIVE ENERGY OF THE CONFORMERS OF CYCLOBUTYL ACETYLENE BY MICROWAVE AND ABINITIO METHODS

被引:11
作者
BERRY, RJ
HARMONY, MD
DAKKOURI, M
SIAM, K
SCHAFER, L
机构
[1] UNIV ULM, DEPT CHEM, D-7900 ULM, GERMANY
[2] UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
关键词
D O I
10.1016/0022-2860(88)80208-4
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:11 / 24
页数:14
相关论文
共 28 条
[1]   FAR-INFRARED SPECTRA OF RING COMPOUNDS .7. RING-PUCKERING VIBRATION IN CHLOROCYCLOBUTANE, BROMOCYCLOBUTANE, AND CYANOCYCLOBUTANE [J].
BLACKWELL, CS ;
CARREIRA, LA ;
KARRIKER, JM ;
LORD, RC ;
DURIG, JR .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (04) :1706-+
[2]   CONFORMATIONAL EQUILIBRIUM AND INTERNAL HYDROGEN-BONDING IN 2-METHYLALLYL ALCOHOL - DETECTION OF A 2ND CONFORMER BY MICROWAVE SPECTROSCOPY ON THE BASIS OF ABINITIO STRUCTURE CALCULATIONS [J].
CAMINATI, W ;
FANTONI, AC ;
VELINO, B ;
SIAM, K ;
SCHAFER, L ;
EWBANK, JD ;
VANALSENOY, C .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1987, 124 (01) :72-81
[3]   INTERPRETATION OF THE MICROWAVE-SPECTRUM OF 2-METHOXY ETHYLAMINE USING ITS ABINITIO STRUCTURES [J].
CAMINATI, W ;
SIAM, K ;
EWBANK, JD ;
SCHAFER, L .
JOURNAL OF MOLECULAR STRUCTURE, 1987, 158 :237-247
[4]   REINVESTIGATION OF THE MICROWAVE-SPECTRUM OF CYANOCYCLOBUTANE - ASSIGNMENT OF THE AXIAL CONFORMER [J].
CAMINATI, W ;
VELINO, B ;
DAKKOURI, M ;
SCHAFER, L ;
SIAM, K ;
EWBANK, JD .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1987, 123 (02) :469-475
[5]   MICROWAVE SPECTRAL STUDY OF THE AXIAL AND EQUATORIAL CONFORMERS OF CYANOCYCLOPENTANE [J].
CHOE, JI ;
HARMONY, MD .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1980, 81 (02) :480-493
[6]   MICROWAVE-SPECTRUM, STRUCTURE, AND DIPOLE-MOMENT OF CYCLOPROPYLACETYLENE [J].
COLLINS, MJ ;
BRITT, CO ;
BOGGS, JE .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (09) :4262-&
[7]   SPECTRA AND STRUCTURE OF SMALL RING COMPOUNDS - MICROWAVE-SPECTRUM OF CYANOCYCLOBUTANE [J].
DURIG, JR ;
CARREIRA, LA ;
LAFFERTY, WJ .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1973, 46 (02) :187-193
[8]   MICROWAVE-SPECTRUM, DIPOLE-MOMENT, QUADRUPOLE COUPLING-CONSTANTS, AND CONFORMATION OF CYANOCYCLOBUTANE [J].
FONG, MY ;
HARMONY, MD .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (10) :4260-4264
[9]   THE STARK EFFECT FOR A RIGID ASYMMETRIC ROTOR [J].
GOLDEN, S ;
WILSON, EB .
JOURNAL OF CHEMICAL PHYSICS, 1948, 16 (07) :669-685
[10]   MICROWAVE SPECTRUM BARRIER TO INTERNAL ROTATION STRUCTURAL INFORMATION AND QUADRUPOLE COUPLING OF 1-CHLORO-1 1-DIFLUOROETHANE [J].
GRANER, G ;
THOMAS, C .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (09) :4160-&