METHYL INTERNAL-ROTATION AND N-14 NUCLEAR-QUADRUPOLE COUPLING FROM THE ROTATIONAL SPECTRA OF ETHYL ISOCYANIDE, ISOPROPYL ISOCYANIDE AND GAUCHE-N-PROPYL AND TRANS-N-PROPYL ISOCYANIDE

被引：6

作者：

KRUGER, M ^{[1
]}

DREIZLER, H ^{[1
]}

机构：

[1] UNIV KIEL, INST PHYS CHEM, CHEM PHYS ABT, OLSHAUSENSTR 40-60, W-2300 KIEL 1, GERMANY

来源：

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES | 1992年 / 47卷 / 10期

关键词：

D O I：

10.1515/zna-1992-1011

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 barrier heights (V3) hindering methyl internal rotation were determined with microwave Fourier transform spectroscopy from the ground vibrational state for the title molecules and found to be V3 = 3.336(52) kcal/mol for ethyl isocyanide, V3 > 3.1 kcal/mol for iso-propyl isocyanide, V3 = 2.894(23)kcal/mol for gauche-n-propyl isocyanide and V3 = 2.954 (22) kcal/mol for trans-n-propyl isocyanide. The quadrupole coupling constants of iso-propyl isocyanide are chi(aa) = 179.3(31) kHz, chi(bb) = -140(15) kHz and chi(cc) = -39(15) kHz; the constants of trans-n-propyl isocyanide were determined to be chi(aa) = 268.1 (71) kHz, chi(bb) = -108(23) kHz and chi(cc) = -160(23) kHz.

引用

页码：1067 / 1072

页数：6

共 38 条

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