MICROWAVE SPECTRA BARRIERS TO INTERNAL ROTATION QUADRUPOLE COUPLING CONSTANTS AND DIPOLE MOMENTS OF CIS- AND TRANS-ACETALDOXIME

被引:37
作者
ROGOWSKI, RS
SCHWENDEMAN, RH
机构
[1] Department of Chemistry, Michigan State University, East Lansing, MI
关键词
D O I
10.1063/1.1670810
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
The microwave spectra of cis- and trans-acetaldoxime (CH3CHNOH) have been investigated in the region 8-37 GHz. Several a-type transitions have been identified for both species and the rotational constants in MHz are as follows: cis-acetaldoxime, A = 17364, B = 6658.92, C=4921.04; trans-acetaldoxime, A=44613, B=4237.73, C= 3973.81. The transitions of cis- and trans-acetaldoxime are split by tunneling of the methyl group through the potential barrier hindering the internal rotation. From these separations the height of the barrier has been determined to be 375 cal/mole for cis and 1835 cal/mole for trans-acetaldoxime. The quadrupole coupling constants are as follows: cis acetaldoxime, χaa= -2.8 MHz, χbb- χcc=0.6 MHz; trans-acetaldoxime, χaa=4.07 MHz, χbb-χcc= -5.0 MHz. The dipole moments for the cis and trans species are 0.850 and 0.938 D, respectively.
引用
收藏
页码:397 / +
页数:1
相关论文
共 50 条
[41]   STRUCTURE, DIPOLE MOMENT AND N-14-NUCLEAR QUADRUPOLE COUPLING CONSTANTS FROM MICROWAVE SPECTRA OF ACETONITRILE-N-OXIDE [J].
BODENSEH, HK ;
MORGENSTERN, K .
ZEITSCHRIFT FUR NATURFORSCHUNG PART A-ASTROPHYSIK PHYSIK UND PHYSIKALISCHE CHEMIE, 1970, A 25 (01) :150-+
[42]   INTRAMOLECULAR INTERACTIONS .25. INTERNAL-ROTATION BARRIERS OF BENZYLIC COMPOUNDS - MOLECULAR OPTICAL ANISOTROPIES, DIPOLE-MOMENTS, AND KERR CONSTANTS [J].
CAMAIL, M ;
PROUTIERE, A ;
BODOT, H .
JOURNAL OF PHYSICAL CHEMISTRY, 1975, 79 (18) :1966-1969
[43]   The effects of methyl internal rotation and 14N quadrupole coupling in the microwave spectra of two conformers of N,N-diethylacetamide [J].
Kannengiesser, Raphaela ;
Klahm, Sebastian ;
Ha Vinh Lam Nguyen ;
Luechow, Arne ;
Stahl, Wolfgang .
JOURNAL OF CHEMICAL PHYSICS, 2014, 141 (20)
[44]   RAMAN AND INFRARED-SPECTRA, VIBRATIONAL ASSIGNMENTS AND BARRIERS TO INTERNAL-ROTATION OF CIS-1-CHLOROPROPENE AND TRANS-1-CHLOROPROPENE [J].
DURIG, JR ;
GUIRGIS, GA .
JOURNAL OF RAMAN SPECTROSCOPY, 1982, 13 (02) :160-170
[45]   SPECTRA AND STRUCTURE OF SMALL RING COMPOUNDS .31. MICROWAVE, RAMAN AND INFRARED-SPECTRA, CONFORMATION, DIPOLE-MOMENT, AND QUADRUPOLE COUPLING-CONSTANTS OF 2-OXAZOLINE [J].
DURIG, JR ;
RIETHMILLER, S ;
LI, YS .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (01) :253-262
[46]   FLUORINE NMR SPECTROSCOPY .10. ANALYSIS OF CARBON-13 SATELLITES IN SPECTRA OF CIS- AND TRANS-CFCL=CFCL - ASSIGNMENT OF COUPLING CONSTANTS FOR FLUORINATED OLEFINS [J].
TIERS, GVD ;
LAUTERBUR, PC .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (04) :1110-&
[47]   MICROWAVE-SPECTRUM, ELECTRIC-DIPOLE MOMENT AND BARRIERS TO INTERNAL-ROTATION OF TRANS AND GAUCHE-DIFLUOROMETHYLPHOSPHINE CHF2PH2 [J].
WANG, EC ;
LI, YS ;
BEAUDET, RA .
JOURNAL OF MOLECULAR STRUCTURE, 1990, 223 :15-32
[48]   MICROWAVE-SPECTRA OF [N-15] AND [C-13] PYRIDINES, QUADRUPOLE COUPLING-CONSTANTS, DIPOLE-MOMENT AND MOLECULAR-STRUCTURE OF PYRIDINE [J].
SORENSEN, GO ;
MAHLER, L ;
RASTRUPA.N .
JOURNAL OF MOLECULAR STRUCTURE, 1974, 20 (01) :119-126
[49]   THE ROTATIONAL ZEEMAN EFFECT OF IMINES .2. CIS-ETHANIMINE AND TRANS-ETHANIMINE AND TRANS-SYN-PROPENIMINE AND TRANS-ANTI-PROPENIMINE, THEIR G-TENSORS, MAGNETIC-SUSCEPTIBILITY ANISOTROPIES, MOLECULAR ELECTRIC QUADRUPOLE-MOMENTS, N-14 NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS, AND N-14 SPIN-ROTATION COUPLING-CONSTANTS - A MICROWAVE SPECTROSCOPIC STUDY COMBINED WITH QUANTUM CHEMICAL CALCULATIONS [J].
KRAUSE, H ;
SUTTER, DH .
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1991, 46 (09) :785-798
[50]   THE MICROWAVE-SPECTRUM OF 4-METHYLTHIAZOLE - METHYL INTERNAL-ROTATION, N-14 NUCLEAR-QUADRUPOLE COUPLING AND ELECTRIC-DIPOLE MOMENT [J].
JAGER, W ;
MADER, H .
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1987, 42 (12) :1405-1409