Structural studies on ethyl isovalerate by microwave spectroscopy and quantum chemical calculations

Journal of Physical Chemistry A

Volumn 115, Issue 2, 2011, Pages 118-122

  Mouhib, Halima ^a   Jelisavac, Dragan ^a   Sutikdja, Lilian W ^a   Isaak, Elisabeth ^a   Stahl, Wolfgang ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO METHOD; CENTRIFUGAL DISTORTION CONSTANTS; DENSITY FUNCTIONAL THEORY CALCULATIONS; ENERGY CONFORMERS; FOURIER TRANSFORM MICROWAVE SPECTROSCOPY; ISOVALERATE; MICROWAVE SPECTRUM; MOLECULAR GEOMETRIES; QUANTUM CHEMICAL CALCULATIONS; QUANTUM-CHEMICAL METHODS; ROTATIONAL CONSTANTS; STRUCTURAL STUDIES;

CENTRIFUGATION; FOURIER TRANSFORMS; MICROWAVE SPECTROSCOPY; MICROWAVES; QUANTUM CHEMISTRY;

DENSITY FUNCTIONAL THEORY;

EID: 78651406204     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp102747f     Document Type: Article

References (17)

1. Melandri, S.; Ragno, S.; Marris, A. J. Phys. Chem. A 2009, 113, 7769-7773
2. Grabow, J.-U.; Stahl, W.; Dreizler, H. Rev. Sci. Instrum. 1996, 67, 4072-4084
3. Hartwig, H.; Dreizler, H. Z. Naturforsch. 1996, 51a, 923-932
4. Ray, B. S. Z. Phys. 1932, 78, 74-91
5. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision E.01; Gaussian: Wallingford, CT, 2004.
6. Velino, B.; Maris, A.; Melandri, S.; Caminati, W. J. Mol. Spectrosc. 2009, 256 (2) 228-231
7. Wiberg, K. J. Comput. Chem. 2004, 25, 1342-1346
8. Friesner, R. A. Proc. Natl. Acad. Sci. U.S.A. 2004, 102 (19) 6648-6653
9. Bartlett, R. J. J. Phys. Chem. 1989, 93, 1697-1708
10. Kumar, M.; Jaiswal, S.; Singh, R.; Srivastav, G.; Singh, P.; Yadav, T. N.; Yadav, R. A. Spectrochim. Acta, Part A 2010, 75, 281-292
11. Oki, M.; Nakanishi, H. Bul. Chem. Soc. Jpn. 1970, 43, 2558-2566
12. Jelisavac, D.; Cortés Gómez, D. C.; Nguyen, H. V. L.; Sutikdja, L. W.; Stahl, W.; Kleiner, I. J. Mol. Spectrosc. 2009, 257, 111-115
13. Nguyen, H. V. L.; Mouhib, H.; Stahl, W.; Kleiner, I. Mol. Phys. 2010, 108 (6) 763-770
14. Mouhib, H.; Zhao, Y.; Stahl, W. J. Mol. Spectrosc. 2010, 261, 59-62
15. Sorensen, G. O.; Pedersen, T.; Dreizler, H.; Guarnieri, A.; Cox, A. P. J. Mol. Struct. 1983, 97, 77-82
16. Rudolph, H. D.; Dreizler, H.; Saeschke, A.; Wendling, P. Z. Naturforsch. 1967, 22A, 940-944
17. Stahl, W.; Dreizler, H.; Hayashi, M. Z. Naturforsch. 1983, 38A, 1010-1014