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题名: EXPERIMENTAL AND THEORETICAL-STUDIES OF ISOMERIC C2H5S AND C2H5S+
作者: MA, ZX;  LIAO, CL;  YIN, HM;  NG, CY;  CHIU, SW;  MA, NL;  LI, WK
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 1993-10-08
卷: 213, 期:3-4, 页:250-256
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: By combining photoionization and photodissociation measurements with ab initio Gaussian-2 (G2) calculations on the C2H5S and C2H5S+ system, we have concluded that CH3CH2S is the dominant primary product formed in the 193 nm photodissociation of (CH3CH2)2S, while CH3CHSH+ is the product ion formed at the photoionization onset of C2H5S+ from (CH3CH2)2S. The G2 predictions for the heats of formation at 0 K (DELTAH(f0)) for the isomers of C2H5S and C2H5S+ (CH3CH2S: DELTAH(f0)(G2) = 27.5 kcal/mol; CH3SCH2: DELTA(Hf0)(G2) = 37.3 kcal/mol; CH3CH2S+: DELTAH(f0)(G2) = 236.5 kcal/mol; CH3CHSH+: DELTAH(f0)(G2) = 192.6 kcal/mol; and CH3SCH2+: DELTAH(f0)(G2) = 195.3 kcal/mol) are in agreement with available experimental DELTAH(f0) values (CH3CH2S: DELTAH(f0)(exp) = 31.4+/-2 kcal/mol; CH3SCH2: DELTAH(f0)/(exp) = 34.8+/-2.5 kcal/mol; CH3CH2S+: DELTAH(f0)(exp) = 238.3+/-2 kcal/mol; CH3CHSH+: DELTAH(f0)(exp) = 189.6+/-1.0 kcal/mol; and CH3SCH2+: DELTAH(f0)(exp) = 195.1 kcal/mol). The G2 calculation also yields a value of 35.3 kcal/mol for DELTAH(f0)(CH3CHSH).
关键词[WOS]: VACUUM ULTRAVIOLET PHOTODISSOCIATION ;  193 NM PHOTODISSOCIATION ;  PHOTOIONIZATION ;  ENERGIES ;  CH3S ;  CH2SH+
语种: 英语
WOS记录号: WOS:A1993MA39000007
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/139446
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
2.UNIV ILLINOIS,CTR BIOTECHNOL,URBANA,IL 61801
3.UNIV ILLINOIS,NATL CTR SUPERCOMP APPL,CHAMPAIGN,IL 61820
4.CHINESE UNIV HONG KONG,DEPT CHEM,SHA TIN,HONG KONG
5.DALIAN INST CHEM PHYS,DALIAN,PEOPLES R CHINA

Recommended Citation:
MA, ZX,LIAO, CL,YIN, HM,et al. EXPERIMENTAL AND THEORETICAL-STUDIES OF ISOMERIC C2H5S AND C2H5S+[J]. CHEMICAL PHYSICS LETTERS,1993,213(3-4):250-256.
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