Published July 2000
| Version v1
Journal article
Analysis of conformation state of stereoisomers of 5-methyl-4-phenyl-1,3,2-dioxaborinane
Creators
- 1. Inst. Organicheskoj Khimii Ufimskogo Nauchnogo Tsentra RAN, Ufa (Russian Federation)
- 2. Fiziko-Khimicheskij Inst. NAN Ukrainy, Odessa (Ukraine)
Description
Detailed evaluation of conformational state of stereoisomers of 5-methyl-4-phenyl-1,3,2-dioxaborinane was made by the method of 1H NMR spectroscopy, as well as by calculation of the optimal geometry in the framework of empirical (MM2) and semiempirical (AM1) approximations. It is shown that molecules of asymmetrically substituted 1,3,2-dioxaborinanes are an example of conformation flexible compounds, as there is quite a noticeable amount of geometrically non-identical forms near the point of energy maximum
Abstract (Russian)
Методы спектроскопии ЯМР 1Н, а также с помощью расчета оптимальной геометрии в рамках эмпирического (ММ2) и полуэмпирического (АМ1) приближений проведена детальная оценка конформационного состава стереоизомеров 5-метил-4-фенил-1,3,2-диоксаборинана. Показано, что молекулы несимметрично замещенных 1,3,2-диоксаборинанов представляют собой пример конформационно гибких соединений, предполагающих существование вблизи точки энергетического минимума заметных количеств геометрически неидентичных формAdditional details
Additional titles
- Original title (Russian)
- Анализ конформационного состава стереоизомеров 5-метил-4-фенил-1,3,2-диоксаборинана
Publishing Information
- Journal Title
- Zhurnal Strukturnoj Khimii
- Journal Volume
- 41
- Journal Issue
- 4
- Journal Page Range
- p. 844-848
- ISSN
- 0136-7463
- CODEN
- ZSTKAI
INIS
- Country of Publication
- Russian Federation
- Country of Input or Organization
- Russian Federation
- INIS RN
- 32016145
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- CONFORMATIONAL CHANGES; ESTERS; HETEROCYCLIC COMPOUNDS; ISOMERS; MOLECULAR STRUCTURE; NMR SPECTRA; ORGANIC BORON COMPOUNDS; PROTONS; STEREOCHEMISTRY; STRUCTURAL CHEMICAL ANALYSIS
- Descriptors DEC
- BARYONS; CATIONS; CHARGED PARTICLES; ELEMENTARY PARTICLES; FERMIONS; HADRONS; HYDROGEN IONS; HYDROGEN IONS 1 PLUS; IONS; NUCLEONS; ORGANIC COMPOUNDS; SPECTRA
Optional Information
- Notes
- 17 refs., 4 tabs.